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

C23H28N4O3 — CID 102358573

IUPAC(3R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methyl-2-oxo-3,4-dihydro-1H-quinoxaline-5-carboxamide
SMILESCOc1ccc2c(c1)N(CCCNC(=O)c1cccc3c1N[C@H](C)C(=O)N3)CCC2
InChIInChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1
InChIKeyFBGWKDHQIRVFSD-OAHLLOKOSA-N
MW408.50 g/mol
LogP3.02
Rot. Bonds6

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

(3R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methyl-2-oxo-3,4-dihydro-1H-quinoxaline-5-carboxamide (PubChem CID 102358573) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is (3R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methyl-2-oxo-3,4-dihydro-1H-quinoxaline-5-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methyl-2-oxo-3,4-dihydro-1H-quinoxaline-5-carboxamide
PubChem CID102358573
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name(3R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methyl-2-oxo-3,4-dihydro-1H-quinoxaline-5-carboxamide
SMILESCOc1ccc2c(c1)N(CCCNC(=O)c1cccc3c1N[C@H](C)C(=O)N3)CCC2
InChIInChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1
InChIKeyFBGWKDHQIRVFSD-OAHLLOKOSA-N
XLogP3.02
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.02
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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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methyl-2-oxo-3,4-dihydro-1H-quinoxaline-5-carboxamide?
The IUPAC name of (3R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methyl-2-oxo-3,4-dihydro-1H-quinoxaline-5-carboxamide (CID 102358573) is (3R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methyl-2-oxo-3,4-dihydro-1H-quinoxaline-5-carboxamide.
What is the SMILES notation for (3R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methyl-2-oxo-3,4-dihydro-1H-quinoxaline-5-carboxamide?
The canonical SMILES for (3R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methyl-2-oxo-3,4-dihydro-1H-quinoxaline-5-carboxamide is COc1ccc2c(c1)N(CCCNC(=O)c1cccc3c1N[C@H](C)C(=O)N3)CCC2.
What is the InChIKey of (3R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methyl-2-oxo-3,4-dihydro-1H-quinoxaline-5-carboxamide?
The InChIKey is FBGWKDHQIRVFSD-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1.
What are the key properties of (3R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methyl-2-oxo-3,4-dihydro-1H-quinoxaline-5-carboxamide?
(3R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methyl-2-oxo-3,4-dihydro-1H-quinoxaline-5-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methyl-2-oxo-3,4-dihydro-1H-quinoxaline-5-carboxamide is sourced from PubChem (CID 102358573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).