N-cyclopropyl-4-methoxy-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide

C31H29N3O3 — CID 3907276

IUPACN-cyclopropyl-4-methoxy-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)N(CC(=O)N2c3ccccc3-n3cccc3C2c2cccc(C)c2)C2CC2)cc1
InChIInChI=1S/C31H29N3O3/c1-21-7-5-8-23(19-21)30-28-11-6-18-32(28)26-9-3-4-10-27(26)34(30)29(35)20-33(24-14-15-24)31(36)22-12-16-25(37-2)17-13-22/h3-13,16-19,24,30H,14-15,20H2,1-2H3
InChIKeyVFZDTQYAJKBKCI-UHFFFAOYSA-N
MW491.59 g/mol
LogP5.54
Rot. Bonds6

About N-cyclopropyl-4-methoxy-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide

N-cyclopropyl-4-methoxy-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide (PubChem CID 3907276) has the molecular formula C31H29N3O3 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide
PubChem CID3907276
Molecular FormulaC31H29N3O3
Molecular Weight491.59 g/mol
Exact Mass491.22
IUPAC NameN-cyclopropyl-4-methoxy-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)N(CC(=O)N2c3ccccc3-n3cccc3C2c2cccc(C)c2)C2CC2)cc1
InChIInChI=1S/C31H29N3O3/c1-21-7-5-8-23(19-21)30-28-11-6-18-32(28)26-9-3-4-10-27(26)34(30)29(35)20-33(24-14-15-24)31(36)22-12-16-25(37-2)17-13-22/h3-13,16-19,24,30H,14-15,20H2,1-2H3
InChIKeyVFZDTQYAJKBKCI-UHFFFAOYSA-N
XLogP5.54
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide
CID 4214848
N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-nitrobenzamide
CID 5008164
N-cyclopropyl-4-ethyl-N-[2-oxo-2-[(4S)-4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]benzamide
CID 93097730
1-cyclopropyl-3-(2-ethoxyphenyl)-1-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 3902396
2-chloro-N-cyclopropyl-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-nitrobenzamide
CID 5097941
N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylacetamide
CID 5031432
4-butoxy-N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide
CID 42659625
3-(3-bromophenyl)-1-cyclopropyl-1-[2-[4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 4305546
N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]tetradecanamide
CID 3997649
3-(2-bromophenyl)-1-cyclopropyl-1-[2-[4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 5008165
1-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-1-cyclopropyl-3-(2-methoxyphenyl)urea
CID 42659753
4-bromo-N-[2-[4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 42752023

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-cyclopropyl-4-methoxy-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide (CID 3907276) is N-cyclopropyl-4-methoxy-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide is COc1ccc(C(=O)N(CC(=O)N2c3ccccc3-n3cccc3C2c2cccc(C)c2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-methoxy-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide?
The InChIKey is VFZDTQYAJKBKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O3/c1-21-7-5-8-23(19-21)30-28-11-6-18-32(28)26-9-3-4-10-27(26)34(30)29(35)20-33(24-14-15-24)31(36)22-12-16-25(37-2)17-13-22/h3-13,16-19,24,30H,14-15,20H2,1-2H3.
What are the key properties of N-cyclopropyl-4-methoxy-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide?
N-cyclopropyl-4-methoxy-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide has a molecular weight of 491.59 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 3907276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).