methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate

C19H20N4O2 — CID 91966196

IUPACmethyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate
SMILESCCCNc1nc(Nc2ccc(C(=O)OC)cc2)nc2ccccc12
InChIInChI=1S/C19H20N4O2/c1-3-12-20-17-15-6-4-5-7-16(15)22-19(23-17)21-14-10-8-13(9-11-14)18(24)25-2/h4-11H,3,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyUEKJTEOVWWPZPN-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.98
Rot. Bonds6

About methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate

methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate (PubChem CID 91966196) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate
PubChem CID91966196
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Namemethyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate
SMILESCCCNc1nc(Nc2ccc(C(=O)OC)cc2)nc2ccccc12
InChIInChI=1S/C19H20N4O2/c1-3-12-20-17-15-6-4-5-7-16(15)22-19(23-17)21-14-10-8-13(9-11-14)18(24)25-2/h4-11H,3,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyUEKJTEOVWWPZPN-UHFFFAOYSA-N
XLogP3.98
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(4-methoxycarbonylanilino)quinazolin-4-yl]amino]acetic acid
CID 91963954
methyl 4-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]benzoate
CID 71690791
methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate
CID 11689305
2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine
CID 91966173
methyl 4-[(4-phenylquinazolin-2-yl)amino]benzoate
CID 4547091
1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride
CID 52996217
methyl 4-[[4-phenyl-6-(propylamino)pyrimidin-2-yl]amino]benzoate
CID 112932475
ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate
CID 1192536
N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide
CID 50944617
methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate
CID 1183964
methyl 3-[[4-(4-methylanilino)quinazolin-2-yl]amino]benzoate
CID 71690613
2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91963816

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate?
The IUPAC name of methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate (CID 91966196) is methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate is CCCNc1nc(Nc2ccc(C(=O)OC)cc2)nc2ccccc12.
What is the InChIKey of methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate?
The InChIKey is UEKJTEOVWWPZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-12-20-17-15-6-4-5-7-16(15)22-19(23-17)21-14-10-8-13(9-11-14)18(24)25-2/h4-11H,3,12H2,1-2H3,(H2,20,21,22,23).
What are the key properties of methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate?
methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate has a molecular weight of 336.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate is sourced from PubChem (CID 91966196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).