2-[[2-(2,5-dimethoxyanilino)quinazolin-4-yl]amino]propanoic acid

C19H20N4O4 — CID 91964007

IUPAC2-[[2-(2,5-dimethoxyanilino)quinazolin-4-yl]amino]propanoic acid
SMILESCOc1ccc(OC)c(Nc2nc(NC(C)C(=O)O)c3ccccc3n2)c1
InChIInChI=1S/C19H20N4O4/c1-11(18(24)25)20-17-13-6-4-5-7-14(13)21-19(23-17)22-15-10-12(26-2)8-9-16(15)27-3/h4-11H,1-3H3,(H,24,25)(H2,20,21,22,23)
InChIKeyFFEMTCUGXVQSSS-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.28
Rot. Bonds7

About 2-[[2-(2,5-dimethoxyanilino)quinazolin-4-yl]amino]propanoic acid

2-[[2-(2,5-dimethoxyanilino)quinazolin-4-yl]amino]propanoic acid (PubChem CID 91964007) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[[2-(2,5-dimethoxyanilino)quinazolin-4-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2,5-dimethoxyanilino)quinazolin-4-yl]amino]propanoic acid
PubChem CID91964007
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-[[2-(2,5-dimethoxyanilino)quinazolin-4-yl]amino]propanoic acid
SMILESCOc1ccc(OC)c(Nc2nc(NC(C)C(=O)O)c3ccccc3n2)c1
InChIInChI=1S/C19H20N4O4/c1-11(18(24)25)20-17-13-6-4-5-7-14(13)21-19(23-17)22-15-10-12(26-2)8-9-16(15)27-3/h4-11H,1-3H3,(H,24,25)(H2,20,21,22,23)
InChIKeyFFEMTCUGXVQSSS-UHFFFAOYSA-N
XLogP3.28
TPSA105.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-(5-chloro-2-methylanilino)quinazolin-4-yl]amino]propanoic acid
CID 91963997
2-[[2-(2-methoxy-5-methylanilino)quinazolin-4-yl]amino]butan-1-ol
CID 91964124
2-[[2-(pyridin-4-ylamino)quinazolin-4-yl]amino]propanoic acid
CID 91964013
2-[[2-(3-chloroanilino)quinazolin-4-yl]amino]propanoic acid
CID 91963906
ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate
CID 1192543
3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride
CID 52995704
2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
CID 70166799
2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
CID 2973041
N-(2,5-dimethoxyphenyl)-4-morpholin-4-ylquinazolin-2-amine;hydrochloride
CID 2975510
N-(2,5-dimethoxyphenyl)-4-methylquinolin-2-amine
CID 806171
2-[(2-propan-2-ylquinazolin-4-yl)amino]propanoic acid
CID 21003858
2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963270

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dimethoxyanilino)quinazolin-4-yl]amino]propanoic acid?
The IUPAC name of 2-[[2-(2,5-dimethoxyanilino)quinazolin-4-yl]amino]propanoic acid (CID 91964007) is 2-[[2-(2,5-dimethoxyanilino)quinazolin-4-yl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(2,5-dimethoxyanilino)quinazolin-4-yl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(2,5-dimethoxyanilino)quinazolin-4-yl]amino]propanoic acid is COc1ccc(OC)c(Nc2nc(NC(C)C(=O)O)c3ccccc3n2)c1.
What is the InChIKey of 2-[[2-(2,5-dimethoxyanilino)quinazolin-4-yl]amino]propanoic acid?
The InChIKey is FFEMTCUGXVQSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-11(18(24)25)20-17-13-6-4-5-7-14(13)21-19(23-17)22-15-10-12(26-2)8-9-16(15)27-3/h4-11H,1-3H3,(H,24,25)(H2,20,21,22,23).
What are the key properties of 2-[[2-(2,5-dimethoxyanilino)quinazolin-4-yl]amino]propanoic acid?
2-[[2-(2,5-dimethoxyanilino)quinazolin-4-yl]amino]propanoic acid has a molecular weight of 368.39 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dimethoxyanilino)quinazolin-4-yl]amino]propanoic acid is sourced from PubChem (CID 91964007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).