8-methyl-6-(morpholin-4-ylmethyl)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one

C21H21N5O2 — CID 146308846

IUPAC8-methyl-6-(morpholin-4-ylmethyl)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one
SMILESCc1cc(CN2CCOCC2)cc2c(=O)[nH]c(-c3cc4cccn4cn3)nc12
InChIInChI=1S/C21H21N5O2/c1-14-9-15(12-25-5-7-28-8-6-25)10-17-19(14)23-20(24-21(17)27)18-11-16-3-2-4-26(16)13-22-18/h2-4,9-11,13H,5-8,12H2,1H3,(H,23,24,27)
InChIKeyDFGSFQRWIMUTSJ-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.38
Rot. Bonds3

About 8-methyl-6-(morpholin-4-ylmethyl)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one

8-methyl-6-(morpholin-4-ylmethyl)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one (PubChem CID 146308846) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 8-methyl-6-(morpholin-4-ylmethyl)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-6-(morpholin-4-ylmethyl)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one
PubChem CID146308846
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name8-methyl-6-(morpholin-4-ylmethyl)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one
SMILESCc1cc(CN2CCOCC2)cc2c(=O)[nH]c(-c3cc4cccn4cn3)nc12
InChIInChI=1S/C21H21N5O2/c1-14-9-15(12-25-5-7-28-8-6-25)10-17-19(14)23-20(24-21(17)27)18-11-16-3-2-4-26(16)13-22-18/h2-4,9-11,13H,5-8,12H2,1H3,(H,23,24,27)
InChIKeyDFGSFQRWIMUTSJ-UHFFFAOYSA-N
XLogP2.38
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-methyl-6-(morpholin-4-ylmethyl)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one with MolForge

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Related Compounds

8-methyl-6-(morpholin-4-ylmethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one
CID 146308981
8-methyl-6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one
CID 146308790
8-methyl-6-(2-morpholin-4-ylethyl)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
CID 146308965
8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
CID 146308952
4-[[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]morpholine
CID 58208395
8-methyl-6-[2-(4-methyl-3-oxopiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;hydrochloride
CID 146308958
6-(3-morpholin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-one
CID 67195246
5-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]-2H-isoquinolin-1-one
CID 71736279
6-[(2,2-dimethylpiperidin-1-yl)methyl]-8-methyl-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one;formamide
CID 175112061
4-[[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methyl]morpholine
CID 170502682
6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
CID 174673146
4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine
CID 170919244

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(morpholin-4-ylmethyl)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one?
The IUPAC name of 8-methyl-6-(morpholin-4-ylmethyl)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one (CID 146308846) is 8-methyl-6-(morpholin-4-ylmethyl)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one.
What is the SMILES notation for 8-methyl-6-(morpholin-4-ylmethyl)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one?
The canonical SMILES for 8-methyl-6-(morpholin-4-ylmethyl)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one is Cc1cc(CN2CCOCC2)cc2c(=O)[nH]c(-c3cc4cccn4cn3)nc12.
What is the InChIKey of 8-methyl-6-(morpholin-4-ylmethyl)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one?
The InChIKey is DFGSFQRWIMUTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-9-15(12-25-5-7-28-8-6-25)10-17-19(14)23-20(24-21(17)27)18-11-16-3-2-4-26(16)13-22-18/h2-4,9-11,13H,5-8,12H2,1H3,(H,23,24,27).
What are the key properties of 8-methyl-6-(morpholin-4-ylmethyl)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one?
8-methyl-6-(morpholin-4-ylmethyl)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one has a molecular weight of 375.43 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(morpholin-4-ylmethyl)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one is sourced from PubChem (CID 146308846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).