3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid

C17H14ClN3O2 — CID 7728857

IUPAC3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid
SMILESO=C(O)CCNc1nc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C17H14ClN3O2/c18-12-7-5-11(6-8-12)16-20-14-4-2-1-3-13(14)17(21-16)19-10-9-15(22)23/h1-8H,9-10H2,(H,22,23)(H,19,20,21)
InChIKeyUQKDTLIXOIRXAB-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.84
Rot. Bonds5

About 3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid

3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid (PubChem CID 7728857) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid
PubChem CID7728857
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid
SMILESO=C(O)CCNc1nc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C17H14ClN3O2/c18-12-7-5-11(6-8-12)16-20-14-4-2-1-3-13(14)17(21-16)19-10-9-15(22)23/h1-8H,9-10H2,(H,22,23)(H,19,20,21)
InChIKeyUQKDTLIXOIRXAB-UHFFFAOYSA-N
XLogP3.84
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42809310
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 10154692
2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
CID 2789481
2-(4-chlorophenyl)-N-[3-(4-propylpiperazin-1-yl)propyl]quinazolin-4-amine
CID 20963288
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
2-[(2-phenylquinazolin-4-yl)amino]acetate
CID 4053821
3-[[2-(3,4-dichlorophenyl)quinazolin-4-yl]amino]propan-1-ol
CID 21491344
methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate
CID 71902211
2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 715619
3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide
CID 42809222
2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol
CID 135549514
3-[(2-phenylquinazolin-4-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 133285501

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid?
The IUPAC name of 3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid (CID 7728857) is 3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid is O=C(O)CCNc1nc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid?
The InChIKey is UQKDTLIXOIRXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-12-7-5-11(6-8-12)16-20-14-4-2-1-3-13(14)17(21-16)19-10-9-15(22)23/h1-8H,9-10H2,(H,22,23)(H,19,20,21).
What are the key properties of 3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid?
3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid has a molecular weight of 327.77 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid is sourced from PubChem (CID 7728857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).