methyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate

C20H21N3O4 — CID 71063625

IUPACmethyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate
SMILESCOC(=O)CCOc1nc(N(C)c2ccc(OC)cc2)c2ccccc2n1
InChIInChI=1S/C20H21N3O4/c1-23(14-8-10-15(25-2)11-9-14)19-16-6-4-5-7-17(16)21-20(22-19)27-13-12-18(24)26-3/h4-11H,12-13H2,1-3H3
InChIKeyRCJHRZLNJWVHAH-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.35
Rot. Bonds7

About methyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate

methyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate (PubChem CID 71063625) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is methyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate.

Molecular Properties

Compound Namemethyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate
PubChem CID71063625
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Namemethyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate
SMILESCOC(=O)CCOc1nc(N(C)c2ccc(OC)cc2)c2ccccc2n1
InChIInChI=1S/C20H21N3O4/c1-23(14-8-10-15(25-2)11-9-14)19-16-6-4-5-7-17(16)21-20(22-19)27-13-12-18(24)26-3/h4-11H,12-13H2,1-3H3
InChIKeyRCJHRZLNJWVHAH-UHFFFAOYSA-N
XLogP3.35
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxy-2,2,4,4-tetramethylpentan-1-ol
CID 143778202
5-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methoxy]pentanoic acid
CID 90926744
N-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide
CID 25226359
2-hydrazinyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
CID 11702079
(4S)-4-amino-1-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]pentan-3-one
CID 158409488
N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide
CID 122550234
(E)-7-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]hept-6-enoic acid
CID 68853969
tert-butyl N-[2-[2-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethylamino]-2-oxoethyl]carbamate
CID 59237266
2-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 11418622
[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methyl-triphenylphosphanium chloride
CID 87600940
4-[[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]methyl]benzaldehyde
CID 143778192
2-[(heptylamino)methyl]-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
CID 143778204

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate?
The IUPAC name of methyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate (CID 71063625) is methyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate.
What is the SMILES notation for methyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate?
The canonical SMILES for methyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate is COC(=O)CCOc1nc(N(C)c2ccc(OC)cc2)c2ccccc2n1.
What is the InChIKey of methyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate?
The InChIKey is RCJHRZLNJWVHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-23(14-8-10-15(25-2)11-9-14)19-16-6-4-5-7-17(16)21-20(22-19)27-13-12-18(24)26-3/h4-11H,12-13H2,1-3H3.
What are the key properties of methyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate?
methyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate has a molecular weight of 367.41 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate is sourced from PubChem (CID 71063625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).