(2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid

C18H17N3O2 — CID 929491

IUPAC(2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid
SMILESCc1ccc2nc(N[C@@H](C)C(=O)O)nc(-c3ccccc3)c2c1
InChIInChI=1S/C18H17N3O2/c1-11-8-9-15-14(10-11)16(13-6-4-3-5-7-13)21-18(20-15)19-12(2)17(22)23/h3-10,12H,1-2H3,(H,22,23)(H,19,20,21)/t12-/m0/s1
InChIKeyCPURVBANMAQXJZ-LBPRGKRZSA-N
MW307.35 g/mol
LogP3.49
Rot. Bonds4

About (2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid

(2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid (PubChem CID 929491) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid
PubChem CID929491
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid
SMILESCc1ccc2nc(N[C@@H](C)C(=O)O)nc(-c3ccccc3)c2c1
InChIInChI=1S/C18H17N3O2/c1-11-8-9-15-14(10-11)16(13-6-4-3-5-7-13)21-18(20-15)19-12(2)17(22)23/h3-10,12H,1-2H3,(H,22,23)(H,19,20,21)/t12-/m0/s1
InChIKeyCPURVBANMAQXJZ-LBPRGKRZSA-N
XLogP3.49
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N,4-diphenylquinazolin-2-amine
CID 782168
butan-2-yl 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetate
CID 4729055
2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid
CID 132587435
6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine
CID 782171
3,4,5-trimethoxy-N'-(6-methyl-4-phenylquinazolin-2-yl)benzohydrazide
CID 3339295
6-methyl-4-phenyl-N-pyridin-3-ylquinazolin-2-amine
CID 4714222
N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide
CID 3129496
4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine
CID 3851416
2-[(6-methylquinolin-4-yl)amino]propanoic acid
CID 83840397
2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride
CID 18558605
6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine
CID 25337273
N'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide
CID 4032991

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid (CID 929491) is (2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid is Cc1ccc2nc(N[C@@H](C)C(=O)O)nc(-c3ccccc3)c2c1.
What is the InChIKey of (2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid?
The InChIKey is CPURVBANMAQXJZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-8-9-15-14(10-11)16(13-6-4-3-5-7-13)21-18(20-15)19-12(2)17(22)23/h3-10,12H,1-2H3,(H,22,23)(H,19,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid?
(2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid has a molecular weight of 307.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid is sourced from PubChem (CID 929491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).