methyl 2-amino-4-phenylquinazoline-5-carboxylate

C16H13N3O2 — CID 174554853

IUPACmethyl 2-amino-4-phenylquinazoline-5-carboxylate
SMILESCOC(=O)c1cccc2nc(N)nc(-c3ccccc3)c12
InChIInChI=1S/C16H13N3O2/c1-21-15(20)11-8-5-9-12-13(11)14(19-16(17)18-12)10-6-3-2-4-7-10/h2-9H,1H3,(H2,17,18,19)
InChIKeyGRMQLLAHAUNXQS-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.67
Rot. Bonds2

About methyl 2-amino-4-phenylquinazoline-5-carboxylate

methyl 2-amino-4-phenylquinazoline-5-carboxylate (PubChem CID 174554853) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is methyl 2-amino-4-phenylquinazoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-phenylquinazoline-5-carboxylate
PubChem CID174554853
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Namemethyl 2-amino-4-phenylquinazoline-5-carboxylate
SMILESCOC(=O)c1cccc2nc(N)nc(-c3ccccc3)c12
InChIInChI=1S/C16H13N3O2/c1-21-15(20)11-8-5-9-12-13(11)14(19-16(17)18-12)10-6-3-2-4-7-10/h2-9H,1H3,(H2,17,18,19)
InChIKeyGRMQLLAHAUNXQS-UHFFFAOYSA-N
XLogP2.67
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)benzoate
CID 68916021
methyl 2-amino-4-phenylpyrimidine-5-carboxylate
CID 15398885
methyl 2-(2,4-diaminoquinazolin-6-yl)-3-phenylbenzoate
CID 91440929
methyl 5-methoxy-3-methyl-2-phenylquinoline-4-carboxylate
CID 141038832
methyl acridine-1-carboxylate
CID 54560619
methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate
CID 156785092
methyl 2-(2,4-diaminoquinazolin-6-yl)-3-iodobenzoate
CID 91231558
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
4-phenylquinazolin-2-amine;hydrochloride
CID 174298789
methyl 3-phenylquinoline-5-carboxylate
CID 15789216
methyl 2-methylsulfanyl-4-oxo-3-phenylquinazoline-5-carboxylate
CID 23276189
methyl 5-bromo-2-(3-phenylquinoxalin-2-yl)benzoate
CID 132502729

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-phenylquinazoline-5-carboxylate?
The IUPAC name of methyl 2-amino-4-phenylquinazoline-5-carboxylate (CID 174554853) is methyl 2-amino-4-phenylquinazoline-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-phenylquinazoline-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-phenylquinazoline-5-carboxylate is COC(=O)c1cccc2nc(N)nc(-c3ccccc3)c12.
What is the InChIKey of methyl 2-amino-4-phenylquinazoline-5-carboxylate?
The InChIKey is GRMQLLAHAUNXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-21-15(20)11-8-5-9-12-13(11)14(19-16(17)18-12)10-6-3-2-4-7-10/h2-9H,1H3,(H2,17,18,19).
What are the key properties of methyl 2-amino-4-phenylquinazoline-5-carboxylate?
methyl 2-amino-4-phenylquinazoline-5-carboxylate has a molecular weight of 279.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-phenylquinazoline-5-carboxylate is sourced from PubChem (CID 174554853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).