N-[2-(hydroxycarbamoyl)cyclopentyl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide;N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide

C54H54N8O7 — CID 157388710

IUPACN-[2-(hydroxycarbamoyl)cyclopentyl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide;N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide
SMILESCc1cc(COc2ccc3c(C(=O)NC4CNCCC4C(=O)NO)cccc3c2)c2ccccc2n1.Cc1cc(Cn2ccc3cc(C(=O)NC4CCCC4C(=O)NO)ccc32)c2ccccc2n1
InChIInChI=1S/C28H28N4O4.C26H26N4O3/c1-17-13-19(22-6-2-3-8-25(22)30-17)16-36-20-9-10-21-18(14-20)5-4-7-23(21)27(33)31-26-15-29-12-11-24(26)28(34)32-35;1-16-13-19(20-5-2-3-7-22(20)27-16)15-30-12-11-17-14-18(9-10-24(17)30)25(31)28-23-8-4-6-21(23)26(32)29-33/h2-10,13-14,24,26,29,35H,11-12,15-16H2,1H3,(H,31,33)(H,32,34);2-3,5,7,9-14,21,23,33H,4,6,8,15H2,1H3,(H,28,31)(H,29,32)
InChIKeyBLSZADSPCIHOHH-UHFFFAOYSA-N
MW927.08 g/mol
LogP7.44
Rot. Bonds11

About N-[2-(hydroxycarbamoyl)cyclopentyl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide;N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide

N-[2-(hydroxycarbamoyl)cyclopentyl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide;N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide (PubChem CID 157388710) has the molecular formula C54H54N8O7 and a molecular weight of 927.08 g/mol. Its IUPAC name is N-[2-(hydroxycarbamoyl)cyclopentyl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide;N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxycarbamoyl)cyclopentyl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide;N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide
PubChem CID157388710
Molecular FormulaC54H54N8O7
Molecular Weight927.08 g/mol
Exact Mass926.41
IUPAC NameN-[2-(hydroxycarbamoyl)cyclopentyl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide;N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide
SMILESCc1cc(COc2ccc3c(C(=O)NC4CNCCC4C(=O)NO)cccc3c2)c2ccccc2n1.Cc1cc(Cn2ccc3cc(C(=O)NC4CCCC4C(=O)NO)ccc32)c2ccccc2n1
InChIInChI=1S/C28H28N4O4.C26H26N4O3/c1-17-13-19(22-6-2-3-8-25(22)30-17)16-36-20-9-10-21-18(14-20)5-4-7-23(21)27(33)31-26-15-29-12-11-24(26)28(34)32-35;1-16-13-19(20-5-2-3-7-22(20)27-16)15-30-12-11-17-14-18(9-10-24(17)30)25(31)28-23-8-4-6-21(23)26(32)29-33/h2-10,13-14,24,26,29,35H,11-12,15-16H2,1H3,(H,31,33)(H,32,34);2-3,5,7,9-14,21,23,33H,4,6,8,15H2,1H3,(H,28,31)(H,29,32)
InChIKeyBLSZADSPCIHOHH-UHFFFAOYSA-N
XLogP7.44
TPSA208.83 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500927.08
LogP ≤ 57.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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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-6-carboxamide
CID 44406717
1-[4-[4-[4-[2-(1H-indol-5-yl)-6-(3-methoxyphenyl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798392
Quinoline-6-carboxylic acid trans-(4-{2-[4-(2,3-dihydro-benzofuran-4-yl)-piperidin-1-yl]-ethyl}-cyclohexyl)-amide
CID 57386456
Quinoline-4-carboxylic acid trans-(4-{2-[4-(2,3-dihydro-benzofuran-4-yl)-piperidin-1-yl]-ethyl}-cyclohexyl)-amide
CID 67972282
US9809574, Example 631
CID 121453559
10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7H-pyrido[4,3-c]carbazole-6-carbonyl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazole-6-carboxamide
CID 15156562
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-phenylmethoxypyrrolo[1,2-a]quinoline-2-carboxamide
CID 155566540
2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-2,7-dimethylquinolin-3-yl]acetic acid
CID 145699147
(2R)-N-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 162704245
5-[5-[6-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]pentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 165371093
1-methyl-N-[(12S,15S)-20-methyl-10,13,16-trioxo-15-(2-phenylethyl)-2-oxa-9,14,17-triazatricyclo[17.3.1.15,9]tetracosa-1(23),19,21-trien-12-yl]-5-(trifluoromethyl)indole-2-carboxamide
CID 168165777
5-[4-[2-[4-[[1-(3-Aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]acetyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 169788432

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxycarbamoyl)cyclopentyl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide;N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide?
The IUPAC name of N-[2-(hydroxycarbamoyl)cyclopentyl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide;N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide (CID 157388710) is N-[2-(hydroxycarbamoyl)cyclopentyl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide;N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(hydroxycarbamoyl)cyclopentyl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide;N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(hydroxycarbamoyl)cyclopentyl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide;N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide is Cc1cc(COc2ccc3c(C(=O)NC4CNCCC4C(=O)NO)cccc3c2)c2ccccc2n1.Cc1cc(Cn2ccc3cc(C(=O)NC4CCCC4C(=O)NO)ccc32)c2ccccc2n1.
What is the InChIKey of N-[2-(hydroxycarbamoyl)cyclopentyl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide;N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide?
The InChIKey is BLSZADSPCIHOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4.C26H26N4O3/c1-17-13-19(22-6-2-3-8-25(22)30-17)16-36-20-9-10-21-18(14-20)5-4-7-23(21)27(33)31-26-15-29-12-11-24(26)28(34)32-35;1-16-13-19(20-5-2-3-7-22(20)27-16)15-30-12-11-17-14-18(9-10-24(17)30)25(31)28-23-8-4-6-21(23)26(32)29-33/h2-10,13-14,24,26,29,35H,11-12,15-16H2,1H3,(H,31,33)(H,32,34);2-3,5,7,9-14,21,23,33H,4,6,8,15H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[2-(hydroxycarbamoyl)cyclopentyl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide;N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide?
N-[2-(hydroxycarbamoyl)cyclopentyl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide;N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide has a molecular weight of 927.08 g/mol, XLogP of 7.44, 11 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxycarbamoyl)cyclopentyl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide;N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide is sourced from PubChem (CID 157388710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).