(4R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide

C24H30N4O3 — CID 146035913

IUPAC(4R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
SMILESCOc1ccc2c(c1)N(CCCNC(=O)c1cccc3c1N[C@H](C)CC(=O)N3)CCC2
InChIInChI=1S/C24H30N4O3/c1-16-14-22(29)27-20-8-3-7-19(23(20)26-16)24(30)25-11-5-13-28-12-4-6-17-9-10-18(31-2)15-21(17)28/h3,7-10,15-16,26H,4-6,11-14H2,1-2H3,(H,25,30)(H,27,29)/t16-/m1/s1
InChIKeyXZQSPHYHBYGJPB-MRXNPFEDSA-N
MW422.53 g/mol
LogP3.41
Rot. Bonds6

About (4R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide

(4R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide (PubChem CID 146035913) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is (4R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide.

Molecular Properties

Compound Name(4R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
PubChem CID146035913
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name(4R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
SMILESCOc1ccc2c(c1)N(CCCNC(=O)c1cccc3c1N[C@H](C)CC(=O)N3)CCC2
InChIInChI=1S/C24H30N4O3/c1-16-14-22(29)27-20-8-3-7-19(23(20)26-16)24(30)25-11-5-13-28-12-4-6-17-9-10-18(31-2)15-21(17)28/h3,7-10,15-16,26H,4-6,11-14H2,1-2H3,(H,25,30)(H,27,29)/t16-/m1/s1
InChIKeyXZQSPHYHBYGJPB-MRXNPFEDSA-N
XLogP3.41
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide?
The IUPAC name of (4R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide (CID 146035913) is (4R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide.
What is the SMILES notation for (4R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide?
The canonical SMILES for (4R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide is COc1ccc2c(c1)N(CCCNC(=O)c1cccc3c1N[C@H](C)CC(=O)N3)CCC2.
What is the InChIKey of (4R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide?
The InChIKey is XZQSPHYHBYGJPB-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-16-14-22(29)27-20-8-3-7-19(23(20)26-16)24(30)25-11-5-13-28-12-4-6-17-9-10-18(31-2)15-21(17)28/h3,7-10,15-16,26H,4-6,11-14H2,1-2H3,(H,25,30)(H,27,29)/t16-/m1/s1.
What are the key properties of (4R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide?
(4R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide is sourced from PubChem (CID 146035913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).