3-(bromomethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-[(dimethylamino)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;N,N-dimethyl-1-[2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl]methanamine oxide;3-methyl-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide

C108H105BrN10O5 — CID 157269320

IUPAC3-(bromomethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-[(dimethylamino)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;N,N-dimethyl-1-[2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl]methanamine oxide;3-methyl-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
SMILESCCC(NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1.CCC(NC(=O)c1c(CBr)c(-c2ccccc2)nc2ccccc12)c1ccccc1.CCC(NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1.CCC(NC(=O)c1c(C[N+](C)(C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C28H29N3O2.C28H29N3O.C26H23BrN2O.C26H24N2O/c1-4-24(20-13-7-5-8-14-20)30-28(32)26-22-17-11-12-18-25(22)29-27(21-15-9-6-10-16-21)23(26)19-31(2,3)33;1-4-24(20-13-7-5-8-14-20)30-28(32)26-22-17-11-12-18-25(22)29-27(23(26)19-31(2)3)21-15-9-6-10-16-21;1-2-22(18-11-5-3-6-12-18)29-26(30)24-20-15-9-10-16-23(20)28-25(21(24)17-27)19-13-7-4-8-14-19;1-3-22(19-12-6-4-7-13-19)28-26(29)24-18(2)25(20-14-8-5-9-15-20)27-23-17-11-10-16-21(23)24/h5-18,24H,4,19H2,1-3H3,(H,30,32);5-18,24H,4,19H2,1-3H3,(H,30,32);3-16,22H,2,17H2,1H3,(H,29,30);4-17,22H,3H2,1-2H3,(H,28,29)
InChIKeyAYIWFUSVPJZXKD-UHFFFAOYSA-N
MW1703.00 g/mol
LogP24.47
Rot. Bonds25

About 3-(bromomethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-[(dimethylamino)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;N,N-dimethyl-1-[2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl]methanamine oxide;3-methyl-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide

3-(bromomethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-[(dimethylamino)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;N,N-dimethyl-1-[2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl]methanamine oxide;3-methyl-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide (PubChem CID 157269320) has the molecular formula C108H105BrN10O5 and a molecular weight of 1703.00 g/mol. Its IUPAC name is 3-(bromomethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-[(dimethylamino)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;N,N-dimethyl-1-[2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl]methanamine oxide;3-methyl-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name3-(bromomethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-[(dimethylamino)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;N,N-dimethyl-1-[2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl]methanamine oxide;3-methyl-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
PubChem CID157269320
Molecular FormulaC108H105BrN10O5
Molecular Weight1703.00 g/mol
Exact Mass1700.75
IUPAC Name3-(bromomethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-[(dimethylamino)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;N,N-dimethyl-1-[2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl]methanamine oxide;3-methyl-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
SMILESCCC(NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1.CCC(NC(=O)c1c(CBr)c(-c2ccccc2)nc2ccccc12)c1ccccc1.CCC(NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1.CCC(NC(=O)c1c(C[N+](C)(C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C28H29N3O2.C28H29N3O.C26H23BrN2O.C26H24N2O/c1-4-24(20-13-7-5-8-14-20)30-28(32)26-22-17-11-12-18-25(22)29-27(21-15-9-6-10-16-21)23(26)19-31(2,3)33;1-4-24(20-13-7-5-8-14-20)30-28(32)26-22-17-11-12-18-25(22)29-27(23(26)19-31(2)3)21-15-9-6-10-16-21;1-2-22(18-11-5-3-6-12-18)29-26(30)24-20-15-9-10-16-23(20)28-25(21(24)17-27)19-13-7-4-8-14-19;1-3-22(19-12-6-4-7-13-19)28-26(29)24-18(2)25(20-14-8-5-9-15-20)27-23-17-11-10-16-21(23)24/h5-18,24H,4,19H2,1-3H3,(H,30,32);5-18,24H,4,19H2,1-3H3,(H,30,32);3-16,22H,2,17H2,1H3,(H,29,30);4-17,22H,3H2,1-2H3,(H,28,29)
InChIKeyAYIWFUSVPJZXKD-UHFFFAOYSA-N
XLogP24.47
TPSA194.26 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001703.00
LogP ≤ 524.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 3-(bromomethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-[(dimethylamino)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;N,N-dimethyl-1-[2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl]methanamine oxide;3-methyl-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide with MolForge

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Related Compounds

N-(2-cyano-1-phenylethyl)-3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxamide
CID 71206675
3-amino-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10762413
2-[3-[(dimethylamino)methyl]-2-phenylquinolin-4-yl]-N-[(1S)-1-phenylpropyl]acetamide;hydrochloride
CID 139754977
3-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10600296
2-phenyl-N-[(1S)-1-phenylpropyl]-3-(tritritiomethoxy)quinoline-4-carboxamide
CID 25261797
3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 23649246
3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine
CID 158520484
3-[2-[(2-amino-2-phenylacetyl)amino]ethoxy]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 54177053
2-methyl-3-phenyl-N-[(1S)-1-phenylpropyl]naphthalene-1-carboxamide
CID 90487509
3-methylsulfinyl-2-phenyl-N-[(1S)-1-pyridin-3-ylpropyl]quinoline-4-carboxamide
CID 53320156
2-[2-[2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]quinolin-3-yl]oxyethylcarbamoyl]benzoic acid
CID 20679019
2-(3-fluorophenyl)-3-methylsulfinyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 53317131

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-[(dimethylamino)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;N,N-dimethyl-1-[2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl]methanamine oxide;3-methyl-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide?
The IUPAC name of 3-(bromomethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-[(dimethylamino)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;N,N-dimethyl-1-[2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl]methanamine oxide;3-methyl-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide (CID 157269320) is 3-(bromomethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-[(dimethylamino)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;N,N-dimethyl-1-[2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl]methanamine oxide;3-methyl-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 3-(bromomethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-[(dimethylamino)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;N,N-dimethyl-1-[2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl]methanamine oxide;3-methyl-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 3-(bromomethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-[(dimethylamino)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;N,N-dimethyl-1-[2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl]methanamine oxide;3-methyl-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide is CCC(NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1.CCC(NC(=O)c1c(CBr)c(-c2ccccc2)nc2ccccc12)c1ccccc1.CCC(NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1.CCC(NC(=O)c1c(C[N+](C)(C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of 3-(bromomethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-[(dimethylamino)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;N,N-dimethyl-1-[2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl]methanamine oxide;3-methyl-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide?
The InChIKey is AYIWFUSVPJZXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2.C28H29N3O.C26H23BrN2O.C26H24N2O/c1-4-24(20-13-7-5-8-14-20)30-28(32)26-22-17-11-12-18-25(22)29-27(21-15-9-6-10-16-21)23(26)19-31(2,3)33;1-4-24(20-13-7-5-8-14-20)30-28(32)26-22-17-11-12-18-25(22)29-27(23(26)19-31(2)3)21-15-9-6-10-16-21;1-2-22(18-11-5-3-6-12-18)29-26(30)24-20-15-9-10-16-23(20)28-25(21(24)17-27)19-13-7-4-8-14-19;1-3-22(19-12-6-4-7-13-19)28-26(29)24-18(2)25(20-14-8-5-9-15-20)27-23-17-11-10-16-21(23)24/h5-18,24H,4,19H2,1-3H3,(H,30,32);5-18,24H,4,19H2,1-3H3,(H,30,32);3-16,22H,2,17H2,1H3,(H,29,30);4-17,22H,3H2,1-2H3,(H,28,29).
What are the key properties of 3-(bromomethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-[(dimethylamino)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;N,N-dimethyl-1-[2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl]methanamine oxide;3-methyl-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide?
3-(bromomethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-[(dimethylamino)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;N,N-dimethyl-1-[2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl]methanamine oxide;3-methyl-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide has a molecular weight of 1703.00 g/mol, XLogP of 24.47, 25 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-[(dimethylamino)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;N,N-dimethyl-1-[2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl]methanamine oxide;3-methyl-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 157269320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).