2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid

C13H14ClN3O2 — CID 22693080

IUPAC2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid
SMILESCCCC(Nc1nc(Cl)nc2ccccc12)C(=O)O
InChIInChI=1S/C13H14ClN3O2/c1-2-5-10(12(18)19)15-11-8-6-3-4-7-9(8)16-13(14)17-11/h3-4,6-7,10H,2,5H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyNAVDSDNRRSKQFA-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.95
Rot. Bonds5

About 2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid

2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid (PubChem CID 22693080) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid
PubChem CID22693080
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid
SMILESCCCC(Nc1nc(Cl)nc2ccccc12)C(=O)O
InChIInChI=1S/C13H14ClN3O2/c1-2-5-10(12(18)19)15-11-8-6-3-4-7-9(8)16-13(14)17-11/h3-4,6-7,10H,2,5H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyNAVDSDNRRSKQFA-UHFFFAOYSA-N
XLogP2.95
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid
CID 22693090
2-(quinazolin-4-ylamino)pentanoic acid
CID 3356607
2-[[4-(methylamino)quinazolin-2-yl]amino]pentanoic acid
CID 122060479
2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid
CID 21004110
2-[(2-methylquinolin-4-yl)amino]pentanoic acid
CID 43631351
2-[(4-methylphthalazin-1-yl)amino]pentanoic acid
CID 43631341
2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]pentanedioic acid
CID 21004008
2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid
CID 63886576
2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]hexanoic acid
CID 21004111
(2S)-2-anilinopentanoic acid
CID 22847649
2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid
CID 22693097
3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide
CID 62477007

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid?
The IUPAC name of 2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid (CID 22693080) is 2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid is CCCC(Nc1nc(Cl)nc2ccccc12)C(=O)O.
What is the InChIKey of 2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid?
The InChIKey is NAVDSDNRRSKQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-2-5-10(12(18)19)15-11-8-6-3-4-7-9(8)16-13(14)17-11/h3-4,6-7,10H,2,5H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid?
2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid has a molecular weight of 279.73 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 22693080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).