4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid

C15H17N3O2 — CID 63869094

IUPAC4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid
SMILESO=C(O)c1nc(NCC2CCCC2)c2ccccc2n1
InChIInChI=1S/C15H17N3O2/c19-15(20)14-17-12-8-4-3-7-11(12)13(18-14)16-9-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,19,20)(H,16,17,18)
InChIKeyICPKTAPABOMLHE-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.93
Rot. Bonds4

About 4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid

4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid (PubChem CID 63869094) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid
PubChem CID63869094
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid
SMILESO=C(O)c1nc(NCC2CCCC2)c2ccccc2n1
InChIInChI=1S/C15H17N3O2/c19-15(20)14-17-12-8-4-3-7-11(12)13(18-14)16-9-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,19,20)(H,16,17,18)
InChIKeyICPKTAPABOMLHE-UHFFFAOYSA-N
XLogP2.93
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719
2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine
CID 62477691
4-(2,2-dimethylpropylamino)quinazoline-2-carboxylic acid
CID 63867718
4-[2-(oxolan-2-yl)ethylamino]quinazoline-2-carboxylic acid
CID 62405853
4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid
CID 104762210
4-(2-butoxyethylamino)quinazoline-2-carboxylic acid
CID 63867859
4-cyclopentyloxyquinazoline-2-carboxylic acid
CID 55251807
4-(methylamino)quinazoline-2-carboxylic acid
CID 63867097
4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid
CID 107853406
4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid
CID 62406033
4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80770778
4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid
CID 62407799

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid?
The IUPAC name of 4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid (CID 63869094) is 4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid?
The canonical SMILES for 4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid is O=C(O)c1nc(NCC2CCCC2)c2ccccc2n1.
What is the InChIKey of 4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid?
The InChIKey is ICPKTAPABOMLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(20)14-17-12-8-4-3-7-11(12)13(18-14)16-9-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,19,20)(H,16,17,18).
What are the key properties of 4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid?
4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid is sourced from PubChem (CID 63869094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).