2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid

C19H18ClN3O4 — CID 22693097

IUPAC2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid
SMILESCOc1cc2nc(Cl)nc(NC(Cc3ccccc3)C(=O)O)c2cc1OC
InChIInChI=1S/C19H18ClN3O4/c1-26-15-9-12-13(10-16(15)27-2)22-19(20)23-17(12)21-14(18(24)25)8-11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyUIZSPYKEZDEUGA-UHFFFAOYSA-N
MW387.82 g/mol
LogP3.41
Rot. Bonds7

About 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid

2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid (PubChem CID 22693097) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid
PubChem CID22693097
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Name2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid
SMILESCOc1cc2nc(Cl)nc(NC(Cc3ccccc3)C(=O)O)c2cc1OC
InChIInChI=1S/C19H18ClN3O4/c1-26-15-9-12-13(10-16(15)27-2)22-19(20)23-17(12)21-14(18(24)25)8-11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyUIZSPYKEZDEUGA-UHFFFAOYSA-N
XLogP3.41
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-phenylpropanoic acid
CID 21003485
N-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693150
4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22693012
2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid
CID 22693090
2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid
CID 22693080
(2S)-2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-phenylpropanoic acid
CID 122049525
2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]pentanoic acid
CID 21003476
2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-phenylpropanoic acid
CID 21003630
(2S)-2-[(2-chloro-5-ethoxycarbonylpyrimidin-4-yl)amino]-3-phenylpropanoic acid
CID 90837125
6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid
CID 22693111
2-[[4,6-bis[(1-carboxy-2-phenylethyl)amino]-1,3,5-triazin-2-yl]amino]-3-phenylpropanoic acid
CID 90051144
2-[(6,7-dimethoxyquinazolin-4-yl)amino]butanedioic acid
CID 21002993

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid (CID 22693097) is 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid is COc1cc2nc(Cl)nc(NC(Cc3ccccc3)C(=O)O)c2cc1OC.
What is the InChIKey of 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid?
The InChIKey is UIZSPYKEZDEUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-26-15-9-12-13(10-16(15)27-2)22-19(20)23-17(12)21-14(18(24)25)8-11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid?
2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid has a molecular weight of 387.82 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 22693097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).