N-cyclopropyl-2,2-dimethyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]propanamide

C27H29N3O2 — CID 42752122

IUPACN-cyclopropyl-2,2-dimethyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccccc1)C1CC1
InChIInChI=1S/C27H29N3O2/c1-27(2,3)26(32)29(20-15-16-20)18-24(31)30-22-13-8-7-12-21(22)28-17-9-14-23(28)25(30)19-10-5-4-6-11-19/h4-14,17,20,25H,15-16,18H2,1-3H3
InChIKeyKWMXMUINULVIHD-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.95
Rot. Bonds4

About N-cyclopropyl-2,2-dimethyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]propanamide

N-cyclopropyl-2,2-dimethyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]propanamide (PubChem CID 42752122) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-cyclopropyl-2,2-dimethyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2,2-dimethyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]propanamide
PubChem CID42752122
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-cyclopropyl-2,2-dimethyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccccc1)C1CC1
InChIInChI=1S/C27H29N3O2/c1-27(2,3)26(32)29(20-15-16-20)18-24(31)30-22-13-8-7-12-21(22)28-17-9-14-23(28)25(30)19-10-5-4-6-11-19/h4-14,17,20,25H,15-16,18H2,1-3H3
InChIKeyKWMXMUINULVIHD-UHFFFAOYSA-N
XLogP4.95
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,2-dimethyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]propanamide?
The IUPAC name of N-cyclopropyl-2,2-dimethyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]propanamide (CID 42752122) is N-cyclopropyl-2,2-dimethyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]propanamide.
What is the SMILES notation for N-cyclopropyl-2,2-dimethyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]propanamide?
The canonical SMILES for N-cyclopropyl-2,2-dimethyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]propanamide is CC(C)(C)C(=O)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccccc1)C1CC1.
What is the InChIKey of N-cyclopropyl-2,2-dimethyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]propanamide?
The InChIKey is KWMXMUINULVIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-27(2,3)26(32)29(20-15-16-20)18-24(31)30-22-13-8-7-12-21(22)28-17-9-14-23(28)25(30)19-10-5-4-6-11-19/h4-14,17,20,25H,15-16,18H2,1-3H3.
What are the key properties of N-cyclopropyl-2,2-dimethyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]propanamide?
N-cyclopropyl-2,2-dimethyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]propanamide has a molecular weight of 427.55 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,2-dimethyl-N-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]propanamide is sourced from PubChem (CID 42752122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).