6-(aminomethyl)-N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxyquinoline-4-carboxamide

C27H27N3O4 — CID 143948799

IUPAC6-(aminomethyl)-N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxyquinoline-4-carboxamide
SMILESCOc1c(-c2ccc(-c3ccc(CCCO)cc3)cc2)nc2ccc(CN)cc2c1C(=O)NO
InChIInChI=1S/C27H27N3O4/c1-34-26-24(27(32)30-33)22-15-18(16-28)6-13-23(22)29-25(26)21-11-9-20(10-12-21)19-7-4-17(5-8-19)3-2-14-31/h4-13,15,31,33H,2-3,14,16,28H2,1H3,(H,30,32)
InChIKeyYLMGKUNCJMZKJK-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.08
Rot. Bonds8

About 6-(aminomethyl)-N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxyquinoline-4-carboxamide

6-(aminomethyl)-N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxyquinoline-4-carboxamide (PubChem CID 143948799) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is 6-(aminomethyl)-N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxyquinoline-4-carboxamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxyquinoline-4-carboxamide
PubChem CID143948799
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Name6-(aminomethyl)-N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxyquinoline-4-carboxamide
SMILESCOc1c(-c2ccc(-c3ccc(CCCO)cc3)cc2)nc2ccc(CN)cc2c1C(=O)NO
InChIInChI=1S/C27H27N3O4/c1-34-26-24(27(32)30-33)22-15-18(16-28)6-13-23(22)29-25(26)21-11-9-20(10-12-21)19-7-4-17(5-8-19)3-2-14-31/h4-13,15,31,33H,2-3,14,16,28H2,1H3,(H,30,32)
InChIKeyYLMGKUNCJMZKJK-UHFFFAOYSA-N
XLogP4.08
TPSA117.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-hydroxy-2-[4-[2-[4-(5-hydroxypentyl)phenyl]ethyl]phenyl]-3-methoxy-6-methylquinoline-4-carboxamide
CID 145465486
N-hydroxy-2-[4-[2-[4-(3-hydroxypropyl)phenyl]ethynyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide
CID 25059854
N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide
CID 25063249
2-[4-[4-[(cyanomethylamino)methyl]phenyl]phenyl]-N-hydroxy-3-methoxy-1,6-naphthyridine-4-carboxamide
CID 25061912
(NE)-N-ethylidenehydroxylamine;N-hydroxy-3-methoxy-2-[4-(4-methylphenyl)phenyl]-1,6-naphthyridine-4-carboxamide
CID 145465274
N-hydroxy-2-[4-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide
CID 25062460
6-(3-hydroxypropyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid
CID 69111148
N-hydroxy-2-[4-[4-(4-hydroxypiperidin-1-yl)phenyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide
CID 25059852
1-[2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-6-methoxyquinolin-4-yl]ethanone
CID 145465271
N-hydroxy-7-[2-(2-hydroxyethoxy)ethyl]-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-1,6-naphthyridine-4-carboxamide
CID 145465481
N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4608973
2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide
CID 53251563

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxyquinoline-4-carboxamide?
The IUPAC name of 6-(aminomethyl)-N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxyquinoline-4-carboxamide (CID 143948799) is 6-(aminomethyl)-N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxyquinoline-4-carboxamide.
What is the SMILES notation for 6-(aminomethyl)-N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxyquinoline-4-carboxamide?
The canonical SMILES for 6-(aminomethyl)-N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxyquinoline-4-carboxamide is COc1c(-c2ccc(-c3ccc(CCCO)cc3)cc2)nc2ccc(CN)cc2c1C(=O)NO.
What is the InChIKey of 6-(aminomethyl)-N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxyquinoline-4-carboxamide?
The InChIKey is YLMGKUNCJMZKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-34-26-24(27(32)30-33)22-15-18(16-28)6-13-23(22)29-25(26)21-11-9-20(10-12-21)19-7-4-17(5-8-19)3-2-14-31/h4-13,15,31,33H,2-3,14,16,28H2,1H3,(H,30,32).
What are the key properties of 6-(aminomethyl)-N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxyquinoline-4-carboxamide?
6-(aminomethyl)-N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxyquinoline-4-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 4.08, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxyquinoline-4-carboxamide is sourced from PubChem (CID 143948799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).