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

C24H21N5O2 — CID 146308790

IUPAC8-methyl-6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one
SMILESCc1cc(OCCCc2ccncc2)cc2c(=O)[nH]c(-c3cc4cccn4cn3)nc12
InChIInChI=1S/C24H21N5O2/c1-16-12-19(31-11-3-4-17-6-8-25-9-7-17)14-20-22(16)27-23(28-24(20)30)21-13-18-5-2-10-29(18)15-26-21/h2,5-10,12-15H,3-4,11H2,1H3,(H,27,28,30)
InChIKeyXCWDZWSQMJBEJL-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.95
Rot. Bonds6

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

8-methyl-6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one (PubChem CID 146308790) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 8-methyl-6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one
PubChem CID146308790
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name8-methyl-6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one
SMILESCc1cc(OCCCc2ccncc2)cc2c(=O)[nH]c(-c3cc4cccn4cn3)nc12
InChIInChI=1S/C24H21N5O2/c1-16-12-19(31-11-3-4-17-6-8-25-9-7-17)14-20-22(16)27-23(28-24(20)30)21-13-18-5-2-10-29(18)15-26-21/h2,5-10,12-15H,3-4,11H2,1H3,(H,27,28,30)
InChIKeyXCWDZWSQMJBEJL-UHFFFAOYSA-N
XLogP3.95
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-methyl-6-(morpholin-4-ylmethyl)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one
CID 146308846
8-cyclopropyl-6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
CID 146308993
2-isoquinolin-3-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 164706550
(NZ)-N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
CID 52931680
N-[6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
CID 75964258
2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one
CID 146308852
2-pyridin-3-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 146308802
6-(3-pyridin-4-ylpropoxy)-2-[5-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;hydrochloride
CID 146309113
6-(3-pyridin-4-ylpropoxy)-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 146333463
8-methyl-6-(1-methyl-5-oxopyrrolidin-3-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
CID 146308949
[2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 81278633
2-methyl-4-(3-pyridin-4-ylpropoxy)-1H-pyrimidin-6-one
CID 103240796

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one?
The IUPAC name of 8-methyl-6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one (CID 146308790) is 8-methyl-6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one.
What is the SMILES notation for 8-methyl-6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one?
The canonical SMILES for 8-methyl-6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one is Cc1cc(OCCCc2ccncc2)cc2c(=O)[nH]c(-c3cc4cccn4cn3)nc12.
What is the InChIKey of 8-methyl-6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one?
The InChIKey is XCWDZWSQMJBEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-16-12-19(31-11-3-4-17-6-8-25-9-7-17)14-20-22(16)27-23(28-24(20)30)21-13-18-5-2-10-29(18)15-26-21/h2,5-10,12-15H,3-4,11H2,1H3,(H,27,28,30).
What are the key properties of 8-methyl-6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one?
8-methyl-6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one has a molecular weight of 411.47 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(3-pyridin-4-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one is sourced from PubChem (CID 146308790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).