2-cyclobutyl-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]quinazolin-4-one

C27H32N6O4 — CID 177159927

IUPAC2-cyclobutyl-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]quinazolin-4-one
SMILESCOC[C@H]1CN(c2ccc3c(=O)n(CCn4ccc5c(ncn5C)c4=O)c(C4CCC4)nc3c2)CCO1
InChIInChI=1S/C27H32N6O4/c1-30-17-28-24-23(30)8-9-31(27(24)35)10-11-33-25(18-4-3-5-18)29-22-14-19(6-7-21(22)26(33)34)32-12-13-37-20(15-32)16-36-2/h6-9,14,17-18,20H,3-5,10-13,15-16H2,1-2H3/t20-/m1/s1
InChIKeyKXNDMICOOMUTEA-HXUWFJFHSA-N
MW504.59 g/mol
LogP2.26
Rot. Bonds7

About 2-cyclobutyl-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]quinazolin-4-one

2-cyclobutyl-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]quinazolin-4-one (PubChem CID 177159927) has the molecular formula C27H32N6O4 and a molecular weight of 504.59 g/mol. Its IUPAC name is 2-cyclobutyl-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name2-cyclobutyl-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]quinazolin-4-one
PubChem CID177159927
Molecular FormulaC27H32N6O4
Molecular Weight504.59 g/mol
Exact Mass504.25
IUPAC Name2-cyclobutyl-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]quinazolin-4-one
SMILESCOC[C@H]1CN(c2ccc3c(=O)n(CCn4ccc5c(ncn5C)c4=O)c(C4CCC4)nc3c2)CCO1
InChIInChI=1S/C27H32N6O4/c1-30-17-28-24-23(30)8-9-31(27(24)35)10-11-33-25(18-4-3-5-18)29-22-14-19(6-7-21(22)26(33)34)32-12-13-37-20(15-32)16-36-2/h6-9,14,17-18,20H,3-5,10-13,15-16H2,1-2H3/t20-/m1/s1
InChIKeyKXNDMICOOMUTEA-HXUWFJFHSA-N
XLogP2.26
TPSA96.41 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-cyclobutyl-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]quinazolin-4-one?
The IUPAC name of 2-cyclobutyl-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]quinazolin-4-one (CID 177159927) is 2-cyclobutyl-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]quinazolin-4-one.
What is the SMILES notation for 2-cyclobutyl-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]quinazolin-4-one?
The canonical SMILES for 2-cyclobutyl-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]quinazolin-4-one is COC[C@H]1CN(c2ccc3c(=O)n(CCn4ccc5c(ncn5C)c4=O)c(C4CCC4)nc3c2)CCO1.
What is the InChIKey of 2-cyclobutyl-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]quinazolin-4-one?
The InChIKey is KXNDMICOOMUTEA-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H32N6O4/c1-30-17-28-24-23(30)8-9-31(27(24)35)10-11-33-25(18-4-3-5-18)29-22-14-19(6-7-21(22)26(33)34)32-12-13-37-20(15-32)16-36-2/h6-9,14,17-18,20H,3-5,10-13,15-16H2,1-2H3/t20-/m1/s1.
What are the key properties of 2-cyclobutyl-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]quinazolin-4-one?
2-cyclobutyl-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]quinazolin-4-one has a molecular weight of 504.59 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(1-methyl-4-oxoimidazo[4,5-c]pyridin-5-yl)ethyl]quinazolin-4-one is sourced from PubChem (CID 177159927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).