N-butyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]naphthalene-1-carboxamide

C34H31N3O2 — CID 42752109

IUPACN-butyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]naphthalene-1-carboxamide
SMILESCCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccccc1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C34H31N3O2/c1-2-3-22-35(34(39)28-18-11-16-25-13-7-8-17-27(25)28)24-32(38)37-30-20-10-9-19-29(30)36-23-12-21-31(36)33(37)26-14-5-4-6-15-26/h4-21,23,33H,2-3,22,24H2,1H3
InChIKeyZSVWHPOVSMLKIJ-UHFFFAOYSA-N
MW513.64 g/mol
LogP7.01
Rot. Bonds7

About N-butyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]naphthalene-1-carboxamide

N-butyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]naphthalene-1-carboxamide (PubChem CID 42752109) has the molecular formula C34H31N3O2 and a molecular weight of 513.64 g/mol. Its IUPAC name is N-butyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-butyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]naphthalene-1-carboxamide
PubChem CID42752109
Molecular FormulaC34H31N3O2
Molecular Weight513.64 g/mol
Exact Mass513.24
IUPAC NameN-butyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]naphthalene-1-carboxamide
SMILESCCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccccc1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C34H31N3O2/c1-2-3-22-35(34(39)28-18-11-16-25-13-7-8-17-27(25)28)24-32(38)37-30-20-10-9-19-29(30)36-23-12-21-31(36)33(37)26-14-5-4-6-15-26/h4-21,23,33H,2-3,22,24H2,1H3
InChIKeyZSVWHPOVSMLKIJ-UHFFFAOYSA-N
XLogP7.01
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]pentanamide
CID 42752089
N-butyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-phenylbenzamide
CID 3971355
N-butyl-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-methoxybenzamide
CID 4038873
N-butyl-4-chloro-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide
CID 5170715
N-butyl-4-nitro-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]benzamide
CID 3913867
N-butyl-N-[2-[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]butanamide
CID 5032360
N-butyl-3,5-dichloro-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide
CID 3368495
N-butyl-2-methyl-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]propanamide
CID 42752403
1,3-dibutyl-1-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 3274495
1,3-dibutyl-1-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 42752467
N-butyl-N-[2-[4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]tetradecanamide
CID 4240063
N-butyl-2-fluoro-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide
CID 42751934

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-butyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]naphthalene-1-carboxamide (CID 42752109) is N-butyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-butyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-butyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]naphthalene-1-carboxamide is CCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccccc1)C(=O)c1cccc2ccccc12.
What is the InChIKey of N-butyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]naphthalene-1-carboxamide?
The InChIKey is ZSVWHPOVSMLKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N3O2/c1-2-3-22-35(34(39)28-18-11-16-25-13-7-8-17-27(25)28)24-32(38)37-30-20-10-9-19-29(30)36-23-12-21-31(36)33(37)26-14-5-4-6-15-26/h4-21,23,33H,2-3,22,24H2,1H3.
What are the key properties of N-butyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]naphthalene-1-carboxamide?
N-butyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]naphthalene-1-carboxamide has a molecular weight of 513.64 g/mol, XLogP of 7.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 42752109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).