N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide

C19H15N5O3 — CID 135686740

IUPACN-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C19H15N5O3/c1-23(11-15-21-14-7-3-2-6-12(14)17(25)22-15)18(26)13-10-20-16-8-4-5-9-24(16)19(13)27/h2-10H,11H2,1H3,(H,21,22,25)
InChIKeyPMHWTAKIXKEHSQ-UHFFFAOYSA-N
MW361.36 g/mol
LogP1.20
Rot. Bonds3

About N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide

N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135686740) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135686740
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC NameN-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C19H15N5O3/c1-23(11-15-21-14-7-3-2-6-12(14)17(25)22-15)18(26)13-10-20-16-8-4-5-9-24(16)19(13)27/h2-10H,11H2,1H3,(H,21,22,25)
InChIKeyPMHWTAKIXKEHSQ-UHFFFAOYSA-N
XLogP1.20
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide
CID 135941989
N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 99176967
N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 135877066
N-methyl-2-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135951735
N-methyl-4-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 70772816
N-(3-hydroxybutyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115673352
N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135570319
3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135570413
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 135935168
4-chloro-N-methyl-2-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135893643
N,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-sulfamoylbenzamide
CID 135971119

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 135686740) is N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide is CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is PMHWTAKIXKEHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-23(11-15-21-14-7-3-2-6-12(14)17(25)22-15)18(26)13-10-20-16-8-4-5-9-24(16)19(13)27/h2-10H,11H2,1H3,(H,21,22,25).
What are the key properties of N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 361.36 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135686740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).