2-[4-(quinazolin-4-ylamino)phenyl]acetic acid

C16H13N3O2 — CID 21002390

IUPAC2-[4-(quinazolin-4-ylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C16H13N3O2/c20-15(21)9-11-5-7-12(8-6-11)19-16-13-3-1-2-4-14(13)17-10-18-16/h1-8,10H,9H2,(H,20,21)(H,17,18,19)
InChIKeyAECSLKMJGKDWIB-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.00
Rot. Bonds4

About 2-[4-(quinazolin-4-ylamino)phenyl]acetic acid

2-[4-(quinazolin-4-ylamino)phenyl]acetic acid (PubChem CID 21002390) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[4-(quinazolin-4-ylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(quinazolin-4-ylamino)phenyl]acetic acid
PubChem CID21002390
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-[4-(quinazolin-4-ylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C16H13N3O2/c20-15(21)9-11-5-7-12(8-6-11)19-16-13-3-1-2-4-14(13)17-10-18-16/h1-8,10H,9H2,(H,20,21)(H,17,18,19)
InChIKeyAECSLKMJGKDWIB-UHFFFAOYSA-N
XLogP3.00
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetic acid
CID 22693237
4-(quinazolin-4-ylamino)phenol;hydrochloride
CID 2790603
5-(quinazolin-4-ylamino)benzene-1,3-dicarboxylic acid
CID 21002389
1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylpropan-2-one
CID 165080774
N-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide
CID 2501443
2-methyl-5-(quinazolin-4-ylamino)benzoic acid
CID 63652827
N-(4-tert-butylphenyl)quinazolin-4-amine
CID 11323396
N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 16875676
3-pyridin-3-yl-1-[4-(quinazolin-4-ylamino)phenyl]propan-1-one
CID 174799439
N-(3-formamidopropyl)-4-(quinazolin-4-ylamino)benzamide
CID 110436285
2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine
CID 57151753
N-naphthalen-2-ylquinazolin-4-amine
CID 110434772

Frequently Asked Questions

What is the IUPAC name of 2-[4-(quinazolin-4-ylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(quinazolin-4-ylamino)phenyl]acetic acid (CID 21002390) is 2-[4-(quinazolin-4-ylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(quinazolin-4-ylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(quinazolin-4-ylamino)phenyl]acetic acid is O=C(O)Cc1ccc(Nc2ncnc3ccccc23)cc1.
What is the InChIKey of 2-[4-(quinazolin-4-ylamino)phenyl]acetic acid?
The InChIKey is AECSLKMJGKDWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-15(21)9-11-5-7-12(8-6-11)19-16-13-3-1-2-4-14(13)17-10-18-16/h1-8,10H,9H2,(H,20,21)(H,17,18,19).
What are the key properties of 2-[4-(quinazolin-4-ylamino)phenyl]acetic acid?
2-[4-(quinazolin-4-ylamino)phenyl]acetic acid has a molecular weight of 279.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(quinazolin-4-ylamino)phenyl]acetic acid is sourced from PubChem (CID 21002390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).