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

C33H33N3O2 — CID 42752244

IUPACN-cyclopropyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylbutanamide
SMILESCCC(C(=O)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(C)cc1)C1CC1)c1ccccc1
InChIInChI=1S/C33H33N3O2/c1-3-27(24-10-5-4-6-11-24)33(38)35(26-19-20-26)22-31(37)36-29-13-8-7-12-28(29)34-21-9-14-30(34)32(36)25-17-15-23(2)16-18-25/h4-18,21,26-27,32H,3,19-20,22H2,1-2H3
InChIKeyYMCLJVSLADXACH-UHFFFAOYSA-N
MW503.65 g/mol
LogP6.41
Rot. Bonds7

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

N-cyclopropyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylbutanamide (PubChem CID 42752244) has the molecular formula C33H33N3O2 and a molecular weight of 503.65 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylbutanamide
PubChem CID42752244
Molecular FormulaC33H33N3O2
Molecular Weight503.65 g/mol
Exact Mass503.26
IUPAC NameN-cyclopropyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylbutanamide
SMILESCCC(C(=O)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(C)cc1)C1CC1)c1ccccc1
InChIInChI=1S/C33H33N3O2/c1-3-27(24-10-5-4-6-11-24)33(38)35(26-19-20-26)22-31(37)36-29-13-8-7-12-28(29)34-21-9-14-30(34)32(36)25-17-15-23(2)16-18-25/h4-18,21,26-27,32H,3,19-20,22H2,1-2H3
InChIKeyYMCLJVSLADXACH-UHFFFAOYSA-N
XLogP6.41
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.65
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2,2-dimethyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]propanamide
CID 42752221
N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-cyclopropyl-2,2-diphenylacetamide
CID 42751862
1-cyclopropyl-3-(4-methylphenyl)-1-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 5212892
N-[2-[4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide
CID 42752015
N-cyclopropyl-N-[2-[(4S)-4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 93097763
N-cyclopropyl-2,2-dimethyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]propanamide
CID 42752122
3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 42752587
N-butyl-N-[2-[4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylbutanamide
CID 42752043
1-cyclopropyl-1-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 42752569
N-cyclopropyl-4-ethyl-N-[2-oxo-2-[(4S)-4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]benzamide
CID 93097730
N-[2-[(4S)-4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylsulfanyl-N-propan-2-ylacetamide
CID 93098094
1-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-phenyl-1-propan-2-ylurea
CID 3969778

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylbutanamide?
The IUPAC name of N-cyclopropyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylbutanamide (CID 42752244) is N-cyclopropyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylbutanamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylbutanamide?
The canonical SMILES for N-cyclopropyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylbutanamide is CCC(C(=O)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccc(C)cc1)C1CC1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylbutanamide?
The InChIKey is YMCLJVSLADXACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O2/c1-3-27(24-10-5-4-6-11-24)33(38)35(26-19-20-26)22-31(37)36-29-13-8-7-12-28(29)34-21-9-14-30(34)32(36)25-17-15-23(2)16-18-25/h4-18,21,26-27,32H,3,19-20,22H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylbutanamide?
N-cyclopropyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylbutanamide has a molecular weight of 503.65 g/mol, XLogP of 6.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-phenylbutanamide is sourced from PubChem (CID 42752244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).