3-[3-(dimethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid

C14H17N3O4 — CID 56771840

IUPAC3-[3-(dimethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid
SMILESCN(C)CCCn1c(=O)[nH]c2cc(C(=O)O)ccc2c1=O
InChIInChI=1S/C14H17N3O4/c1-16(2)6-3-7-17-12(18)10-5-4-9(13(19)20)8-11(10)15-14(17)21/h4-5,8H,3,6-7H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyPEUZSJWWXMFFRA-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.34
Rot. Bonds5

About 3-[3-(dimethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid

3-[3-(dimethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid (PubChem CID 56771840) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid
PubChem CID56771840
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name3-[3-(dimethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid
SMILESCN(C)CCCn1c(=O)[nH]c2cc(C(=O)O)ccc2c1=O
InChIInChI=1S/C14H17N3O4/c1-16(2)6-3-7-17-12(18)10-5-4-9(13(19)20)8-11(10)15-14(17)21/h4-5,8H,3,6-7H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyPEUZSJWWXMFFRA-UHFFFAOYSA-N
XLogP0.34
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 25335953
7-(4-methylpiperazine-1-carbonyl)-3-pentyl-1H-quinazoline-2,4-dione
CID 15992912
3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid
CID 4641995
7-bromo-3-(4-hydroxybutyl)-1H-quinazoline-2,4-dione
CID 154768685
2,4-dioxo-3-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-quinazoline-7-carboxylic acid
CID 56771826
3-[3-(dimethylamino)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 56686617
acetic acid;3-pentyl-1H-quinazoline-2,4-dione
CID 67872693
4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxylic acid
CID 704193
3-ethyl-N-methyl-N-(3-methylbutyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 87016169
3-(3,5-dimethylphenyl)-2,4-dioxo-1H-quinazoline-7-carboxylic acid
CID 71296246
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid
CID 119166689

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid?
The IUPAC name of 3-[3-(dimethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid (CID 56771840) is 3-[3-(dimethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid is CN(C)CCCn1c(=O)[nH]c2cc(C(=O)O)ccc2c1=O.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid?
The InChIKey is PEUZSJWWXMFFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-16(2)6-3-7-17-12(18)10-5-4-9(13(19)20)8-11(10)15-14(17)21/h4-5,8H,3,6-7H2,1-2H3,(H,15,21)(H,19,20).
What are the key properties of 3-[3-(dimethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid?
3-[3-(dimethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid is sourced from PubChem (CID 56771840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).