1-carbamoyl-2,4-dihydroquinazoline-3-carboxylic acid

C10H11N3O3 — CID 174655862

IUPAC1-carbamoyl-2,4-dihydroquinazoline-3-carboxylic acid
SMILESNC(=O)N1CN(C(=O)O)Cc2ccccc21
InChIInChI=1S/C10H11N3O3/c11-9(14)13-6-12(10(15)16)5-7-3-1-2-4-8(7)13/h1-4H,5-6H2,(H2,11,14)(H,15,16)
InChIKeyNKWYSQSIGIZXNM-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.02
Rot. Bonds

About 1-carbamoyl-2,4-dihydroquinazoline-3-carboxylic acid

1-carbamoyl-2,4-dihydroquinazoline-3-carboxylic acid (PubChem CID 174655862) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-carbamoyl-2,4-dihydroquinazoline-3-carboxylic acid.

Molecular Properties

Compound Name1-carbamoyl-2,4-dihydroquinazoline-3-carboxylic acid
PubChem CID174655862
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name1-carbamoyl-2,4-dihydroquinazoline-3-carboxylic acid
SMILESNC(=O)N1CN(C(=O)O)Cc2ccccc21
InChIInChI=1S/C10H11N3O3/c11-9(14)13-6-12(10(15)16)5-7-3-1-2-4-8(7)13/h1-4H,5-6H2,(H2,11,14)(H,15,16)
InChIKeyNKWYSQSIGIZXNM-UHFFFAOYSA-N
XLogP1.02
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 91589505
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CID 90953923
1-(3,4-dichlorophenyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid
CID 69000971
4-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide
CID 54507850
4-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)-4-oxobutanamide
CID 129269689
10-amino-7-fluoro-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylic acid
CID 141197373
3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide
CID 140737605
4-(2-aminophenyl)piperazine-1-carboxylic acid
CID 68854737
5-carbamoyl-1,3-dihydroisoindole-2-carboxylic acid
CID 174890707
2-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone;dihydrochloride
CID 119878127
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide
CID 108505743
1-(2-acetyl-2,9-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-9-yl)-3-phenylpropan-1-one
CID 133066062

Frequently Asked Questions

What is the IUPAC name of 1-carbamoyl-2,4-dihydroquinazoline-3-carboxylic acid?
The IUPAC name of 1-carbamoyl-2,4-dihydroquinazoline-3-carboxylic acid (CID 174655862) is 1-carbamoyl-2,4-dihydroquinazoline-3-carboxylic acid.
What is the SMILES notation for 1-carbamoyl-2,4-dihydroquinazoline-3-carboxylic acid?
The canonical SMILES for 1-carbamoyl-2,4-dihydroquinazoline-3-carboxylic acid is NC(=O)N1CN(C(=O)O)Cc2ccccc21.
What is the InChIKey of 1-carbamoyl-2,4-dihydroquinazoline-3-carboxylic acid?
The InChIKey is NKWYSQSIGIZXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c11-9(14)13-6-12(10(15)16)5-7-3-1-2-4-8(7)13/h1-4H,5-6H2,(H2,11,14)(H,15,16).
What are the key properties of 1-carbamoyl-2,4-dihydroquinazoline-3-carboxylic acid?
1-carbamoyl-2,4-dihydroquinazoline-3-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyl-2,4-dihydroquinazoline-3-carboxylic acid is sourced from PubChem (CID 174655862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).