3-(3-aminopropoxy)-4-methoxy-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]benzamide

C20H23N3O4 — CID 125174059

IUPAC3-(3-aminopropoxy)-4-methoxy-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CC(=O)Nc3ccccc32)cc1OCCCN
InChIInChI=1S/C20H23N3O4/c1-26-17-8-7-13(11-18(17)27-10-4-9-21)20(25)23-16-12-19(24)22-15-6-3-2-5-14(15)16/h2-3,5-8,11,16H,4,9-10,12,21H2,1H3,(H,22,24)(H,23,25)/t16-/m1/s1
InChIKeyGHJKMLIVYJRIJP-MRXNPFEDSA-N
MW369.42 g/mol
LogP2.24
Rot. Bonds7

About 3-(3-aminopropoxy)-4-methoxy-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]benzamide

3-(3-aminopropoxy)-4-methoxy-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]benzamide (PubChem CID 125174059) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-(3-aminopropoxy)-4-methoxy-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]benzamide.

Molecular Properties

Compound Name3-(3-aminopropoxy)-4-methoxy-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]benzamide
PubChem CID125174059
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name3-(3-aminopropoxy)-4-methoxy-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CC(=O)Nc3ccccc32)cc1OCCCN
InChIInChI=1S/C20H23N3O4/c1-26-17-8-7-13(11-18(17)27-10-4-9-21)20(25)23-16-12-19(24)22-15-6-3-2-5-14(15)16/h2-3,5-8,11,16H,4,9-10,12,21H2,1H3,(H,22,24)(H,23,25)/t16-/m1/s1
InChIKeyGHJKMLIVYJRIJP-MRXNPFEDSA-N
XLogP2.24
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285163
N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethoxybenzamide
CID 114632315
N-[(4R)-4-(2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,4-dimethoxybenzamide
CID 92688274
4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 119664135
3-fluoro-4-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 32745617
[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 4-butoxy-3-methoxybenzoate
CID 43023064
3,4-dimethoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524569
N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3-phenyltriazole-4-carboxamide
CID 95146948
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 51958121
3,4-dimethoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide
CID 90061740
pentyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-5-yl)carbamate
CID 154131640
3-[4-(1,3-dioxoisoindol-2-yl)butoxy]-4-methoxybenzoic acid
CID 71561776

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropoxy)-4-methoxy-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]benzamide?
The IUPAC name of 3-(3-aminopropoxy)-4-methoxy-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]benzamide (CID 125174059) is 3-(3-aminopropoxy)-4-methoxy-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]benzamide.
What is the SMILES notation for 3-(3-aminopropoxy)-4-methoxy-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]benzamide?
The canonical SMILES for 3-(3-aminopropoxy)-4-methoxy-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]benzamide is COc1ccc(C(=O)N[C@@H]2CC(=O)Nc3ccccc32)cc1OCCCN.
What is the InChIKey of 3-(3-aminopropoxy)-4-methoxy-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]benzamide?
The InChIKey is GHJKMLIVYJRIJP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-17-8-7-13(11-18(17)27-10-4-9-21)20(25)23-16-12-19(24)22-15-6-3-2-5-14(15)16/h2-3,5-8,11,16H,4,9-10,12,21H2,1H3,(H,22,24)(H,23,25)/t16-/m1/s1.
What are the key properties of 3-(3-aminopropoxy)-4-methoxy-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]benzamide?
3-(3-aminopropoxy)-4-methoxy-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]benzamide has a molecular weight of 369.42 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropoxy)-4-methoxy-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]benzamide is sourced from PubChem (CID 125174059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).