N-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide

C16H16N4O3 — CID 122714941

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc2c(=O)c(C(=O)NCCc3cnc[nH]3)c[nH]c2c1
InChIInChI=1S/C16H16N4O3/c1-23-11-2-3-12-14(6-11)19-8-13(15(12)21)16(22)18-5-4-10-7-17-9-20-10/h2-3,6-9H,4-5H2,1H3,(H,17,20)(H,18,22)(H,19,21)
InChIKeyMAXLGEAOXDOQQN-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.23
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 122714941) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
PubChem CID122714941
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc2c(=O)c(C(=O)NCCc3cnc[nH]3)c[nH]c2c1
InChIInChI=1S/C16H16N4O3/c1-23-11-2-3-12-14(6-11)19-8-13(15(12)21)16(22)18-5-4-10-7-17-9-20-10/h2-3,6-9H,4-5H2,1H3,(H,17,20)(H,18,22)(H,19,21)
InChIKeyMAXLGEAOXDOQQN-UHFFFAOYSA-N
XLogP1.23
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-[3-(diethylamino)propyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 78323048
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206560
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799
8-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 91639778
N-butyl-6-methoxy-1H-indole-3-carboxamide
CID 113206507
7-methoxy-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinoline-3-carboxamide
CID 124506094
1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea
CID 65231458
7-methoxy-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide
CID 51684426
diethyl-[2-[(6-methoxy-4-oxo-1H-quinoline-3-carbonyl)amino]ethyl]azanium
CID 7391278
5,7-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-8-[(4-methoxyphenyl)sulfonylamino]quinoline-2-carboxamide
CID 143696554
6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 95233454

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide (CID 122714941) is N-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide is COc1ccc2c(=O)c(C(=O)NCCc3cnc[nH]3)c[nH]c2c1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is MAXLGEAOXDOQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-23-11-2-3-12-14(6-11)19-8-13(15(12)21)16(22)18-5-4-10-7-17-9-20-10/h2-3,6-9H,4-5H2,1H3,(H,17,20)(H,18,22)(H,19,21).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 122714941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).