N-carbamoyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-phenylacetamide

C19H19N5O3 — CID 135600517

IUPACN-carbamoyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-phenylacetamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(C(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C19H19N5O3/c1-24(11-15-21-14-10-6-5-9-13(14)17(25)22-15)16(18(26)23-19(20)27)12-7-3-2-4-8-12/h2-10,16H,11H2,1H3,(H,21,22,25)(H3,20,23,26,27)
InChIKeyJHQAWSUMMCCKGT-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.29
Rot. Bonds5

About N-carbamoyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-phenylacetamide

N-carbamoyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-phenylacetamide (PubChem CID 135600517) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-carbamoyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-phenylacetamide
PubChem CID135600517
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-carbamoyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-phenylacetamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(C(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C19H19N5O3/c1-24(11-15-21-14-10-6-5-9-13(14)17(25)22-15)16(18(26)23-19(20)27)12-7-3-2-4-8-12/h2-10,16H,11H2,1H3,(H,21,22,25)(H3,20,23,26,27)
InChIKeyJHQAWSUMMCCKGT-UHFFFAOYSA-N
XLogP1.29
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-phenylacetamide?
The IUPAC name of N-carbamoyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-phenylacetamide (CID 135600517) is N-carbamoyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-phenylacetamide.
What is the SMILES notation for N-carbamoyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-phenylacetamide?
The canonical SMILES for N-carbamoyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-phenylacetamide is CN(Cc1nc2ccccc2c(=O)[nH]1)C(C(=O)NC(N)=O)c1ccccc1.
What is the InChIKey of N-carbamoyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-phenylacetamide?
The InChIKey is JHQAWSUMMCCKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-24(11-15-21-14-10-6-5-9-13(14)17(25)22-15)16(18(26)23-19(20)27)12-7-3-2-4-8-12/h2-10,16H,11H2,1H3,(H,21,22,25)(H3,20,23,26,27).
What are the key properties of N-carbamoyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-phenylacetamide?
N-carbamoyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-phenylacetamide has a molecular weight of 365.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-phenylacetamide is sourced from PubChem (CID 135600517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).