N-butyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-butyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide;2-isoquinolin-3-yl-N-pentylacetamide;2-(2-methyl-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-(4-phenylisoquinolin-3-yl)acetamide;N-pentyl-2-(4-phenylquinolin-3-yl)acetamide

C133H146N12O8 — CID 157458754

IUPACN-butyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-butyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide;2-isoquinolin-3-yl-N-pentylacetamide;2-(2-methyl-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-(4-phenylisoquinolin-3-yl)acetamide;N-pentyl-2-(4-phenylquinolin-3-yl)acetamide
SMILESCCCCCNC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1.CCCCCNC(=O)Cc1cc2ccccc2cn1.CCCCCNC(=O)Cc1cnc2ccccc2c1-c1ccccc1.CCCCCNC(=O)Cc1ncc2ccccc2c1-c1ccccc1.CCCCNC(=O)Cc1cnc2ccc(OC)cc2c1-c1ccccc1.CCCCNC(=O)Cc1cnc2ccccc2c1-c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C28H28N2O2.C23H26N2O.C22H24N2O2.2C22H24N2O.C16H20N2O/c1-2-3-16-29-27(31)18-23-19-30-26-15-8-7-14-25(26)28(23)22-12-9-13-24(17-22)32-20-21-10-5-4-6-11-21;1-3-4-10-15-24-22(26)16-20-17(2)25-21-14-9-8-13-19(21)23(20)18-11-6-5-7-12-18;1-3-4-12-23-21(25)13-17-15-24-20-11-10-18(26-2)14-19(20)22(17)16-8-6-5-7-9-16;1-2-3-9-14-23-21(25)15-18-16-24-20-13-8-7-12-19(20)22(18)17-10-5-4-6-11-17;1-2-3-9-14-23-21(25)15-20-22(17-10-5-4-6-11-17)19-13-8-7-12-18(19)16-24-20;1-2-3-6-9-17-16(19)11-15-10-13-7-4-5-8-14(13)12-18-15/h4-15,17,19H,2-3,16,18,20H2,1H3,(H,29,31);5-9,11-14H,3-4,10,15-16H2,1-2H3,(H,24,26);5-11,14-15H,3-4,12-13H2,1-2H3,(H,23,25);2*4-8,10-13,16H,2-3,9,14-15H2,1H3,(H,23,25);4-5,7-8,10,12H,2-3,6,9,11H2,1H3,(H,17,19)
InChIKeyBTRDHXHVUXZEMT-UHFFFAOYSA-N
MW2040.71 g/mol
LogP27.95
Rot. Bonds43

About N-butyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-butyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide;2-isoquinolin-3-yl-N-pentylacetamide;2-(2-methyl-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-(4-phenylisoquinolin-3-yl)acetamide;N-pentyl-2-(4-phenylquinolin-3-yl)acetamide

N-butyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-butyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide;2-isoquinolin-3-yl-N-pentylacetamide;2-(2-methyl-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-(4-phenylisoquinolin-3-yl)acetamide;N-pentyl-2-(4-phenylquinolin-3-yl)acetamide (PubChem CID 157458754) has the molecular formula C133H146N12O8 and a molecular weight of 2040.71 g/mol. Its IUPAC name is N-butyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-butyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide;2-isoquinolin-3-yl-N-pentylacetamide;2-(2-methyl-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-(4-phenylisoquinolin-3-yl)acetamide;N-pentyl-2-(4-phenylquinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-butyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide;2-isoquinolin-3-yl-N-pentylacetamide;2-(2-methyl-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-(4-phenylisoquinolin-3-yl)acetamide;N-pentyl-2-(4-phenylquinolin-3-yl)acetamide
PubChem CID157458754
Molecular FormulaC133H146N12O8
Molecular Weight2040.71 g/mol
Exact Mass2039.14
IUPAC NameN-butyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-butyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide;2-isoquinolin-3-yl-N-pentylacetamide;2-(2-methyl-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-(4-phenylisoquinolin-3-yl)acetamide;N-pentyl-2-(4-phenylquinolin-3-yl)acetamide
SMILESCCCCCNC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1.CCCCCNC(=O)Cc1cc2ccccc2cn1.CCCCCNC(=O)Cc1cnc2ccccc2c1-c1ccccc1.CCCCCNC(=O)Cc1ncc2ccccc2c1-c1ccccc1.CCCCNC(=O)Cc1cnc2ccc(OC)cc2c1-c1ccccc1.CCCCNC(=O)Cc1cnc2ccccc2c1-c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C28H28N2O2.C23H26N2O.C22H24N2O2.2C22H24N2O.C16H20N2O/c1-2-3-16-29-27(31)18-23-19-30-26-15-8-7-14-25(26)28(23)22-12-9-13-24(17-22)32-20-21-10-5-4-6-11-21;1-3-4-10-15-24-22(26)16-20-17(2)25-21-14-9-8-13-19(21)23(20)18-11-6-5-7-12-18;1-3-4-12-23-21(25)13-17-15-24-20-11-10-18(26-2)14-19(20)22(17)16-8-6-5-7-9-16;1-2-3-9-14-23-21(25)15-18-16-24-20-13-8-7-12-19(20)22(18)17-10-5-4-6-11-17;1-2-3-9-14-23-21(25)15-20-22(17-10-5-4-6-11-17)19-13-8-7-12-18(19)16-24-20;1-2-3-6-9-17-16(19)11-15-10-13-7-4-5-8-14(13)12-18-15/h4-15,17,19H,2-3,16,18,20H2,1H3,(H,29,31);5-9,11-14H,3-4,10,15-16H2,1-2H3,(H,24,26);5-11,14-15H,3-4,12-13H2,1-2H3,(H,23,25);2*4-8,10-13,16H,2-3,9,14-15H2,1H3,(H,23,25);4-5,7-8,10,12H,2-3,6,9,11H2,1H3,(H,17,19)
InChIKeyBTRDHXHVUXZEMT-UHFFFAOYSA-N
XLogP27.95
TPSA270.40 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds43
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002040.71
LogP ≤ 527.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-butyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide;2-isoquinolin-3-yl-N-pentylacetamide;2-(2-methyl-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-(4-phenylisoquinolin-3-yl)acetamide;N-pentyl-2-(4-phenylquinolin-3-yl)acetamide with MolForge

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Related Compounds

N-(trans-4-(2-(8-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl)cyclohexyl)quinoline-4-carboxamide
CID 44406616
2-(4-benzylpiperidin-1-yl)-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-(2-methylphenyl)acetamide
CID 44535651
2-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide
CID 137648543
[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] (2S)-2-[[(2S)-3-phenyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propanoate
CID 145964341
2-(3-isopropyloxyphenyl)-N-(pyridin-4-yl)quinoline-4-carboxamide
CID 994729
2-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 4608632
N-(1-benzylpiperidin-4-yl)-3-(quinolin-4-ylmethoxy)benzamide
CID 19762435
N-[(3-Methoxyphenyl)methyl]-2-(pyridin-3-YL)quinoline-4-carboxamide
CID 15994018
2-(3-methoxyphenyl)-N-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-2,2-dimethylpropyl]quinoline-4-carboxamide
CID 5225155
1-[2-(3,5-difluorophenoxy)ethyl]-4-[(3R)-3-fluoro-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-N-hydroxypiperidine-4-carboxamide
CID 20797175
4-[(3R)-3-fluoro-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-N-hydroxy-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 20797222
1-[2-(3,5-difluorophenoxy)ethyl]-N-hydroxy-4-[3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]piperidine-4-carboxamide
CID 22468444

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-butyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide;2-isoquinolin-3-yl-N-pentylacetamide;2-(2-methyl-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-(4-phenylisoquinolin-3-yl)acetamide;N-pentyl-2-(4-phenylquinolin-3-yl)acetamide?
The IUPAC name of N-butyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-butyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide;2-isoquinolin-3-yl-N-pentylacetamide;2-(2-methyl-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-(4-phenylisoquinolin-3-yl)acetamide;N-pentyl-2-(4-phenylquinolin-3-yl)acetamide (CID 157458754) is N-butyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-butyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide;2-isoquinolin-3-yl-N-pentylacetamide;2-(2-methyl-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-(4-phenylisoquinolin-3-yl)acetamide;N-pentyl-2-(4-phenylquinolin-3-yl)acetamide.
What is the SMILES notation for N-butyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-butyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide;2-isoquinolin-3-yl-N-pentylacetamide;2-(2-methyl-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-(4-phenylisoquinolin-3-yl)acetamide;N-pentyl-2-(4-phenylquinolin-3-yl)acetamide?
The canonical SMILES for N-butyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-butyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide;2-isoquinolin-3-yl-N-pentylacetamide;2-(2-methyl-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-(4-phenylisoquinolin-3-yl)acetamide;N-pentyl-2-(4-phenylquinolin-3-yl)acetamide is CCCCCNC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1.CCCCCNC(=O)Cc1cc2ccccc2cn1.CCCCCNC(=O)Cc1cnc2ccccc2c1-c1ccccc1.CCCCCNC(=O)Cc1ncc2ccccc2c1-c1ccccc1.CCCCNC(=O)Cc1cnc2ccc(OC)cc2c1-c1ccccc1.CCCCNC(=O)Cc1cnc2ccccc2c1-c1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-butyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-butyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide;2-isoquinolin-3-yl-N-pentylacetamide;2-(2-methyl-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-(4-phenylisoquinolin-3-yl)acetamide;N-pentyl-2-(4-phenylquinolin-3-yl)acetamide?
The InChIKey is BTRDHXHVUXZEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2.C23H26N2O.C22H24N2O2.2C22H24N2O.C16H20N2O/c1-2-3-16-29-27(31)18-23-19-30-26-15-8-7-14-25(26)28(23)22-12-9-13-24(17-22)32-20-21-10-5-4-6-11-21;1-3-4-10-15-24-22(26)16-20-17(2)25-21-14-9-8-13-19(21)23(20)18-11-6-5-7-12-18;1-3-4-12-23-21(25)13-17-15-24-20-11-10-18(26-2)14-19(20)22(17)16-8-6-5-7-9-16;1-2-3-9-14-23-21(25)15-18-16-24-20-13-8-7-12-19(20)22(18)17-10-5-4-6-11-17;1-2-3-9-14-23-21(25)15-20-22(17-10-5-4-6-11-17)19-13-8-7-12-18(19)16-24-20;1-2-3-6-9-17-16(19)11-15-10-13-7-4-5-8-14(13)12-18-15/h4-15,17,19H,2-3,16,18,20H2,1H3,(H,29,31);5-9,11-14H,3-4,10,15-16H2,1-2H3,(H,24,26);5-11,14-15H,3-4,12-13H2,1-2H3,(H,23,25);2*4-8,10-13,16H,2-3,9,14-15H2,1H3,(H,23,25);4-5,7-8,10,12H,2-3,6,9,11H2,1H3,(H,17,19).
What are the key properties of N-butyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-butyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide;2-isoquinolin-3-yl-N-pentylacetamide;2-(2-methyl-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-(4-phenylisoquinolin-3-yl)acetamide;N-pentyl-2-(4-phenylquinolin-3-yl)acetamide?
N-butyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-butyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide;2-isoquinolin-3-yl-N-pentylacetamide;2-(2-methyl-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-(4-phenylisoquinolin-3-yl)acetamide;N-pentyl-2-(4-phenylquinolin-3-yl)acetamide has a molecular weight of 2040.71 g/mol, XLogP of 27.95, 43 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-butyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide;2-isoquinolin-3-yl-N-pentylacetamide;2-(2-methyl-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-(4-phenylisoquinolin-3-yl)acetamide;N-pentyl-2-(4-phenylquinolin-3-yl)acetamide is sourced from PubChem (CID 157458754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).