ethyl 4-(4-methoxyanilino)quinazoline-2-carboxylate

C18H17N3O3 — CID 731978

IUPACethyl 4-(4-methoxyanilino)quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(Nc2ccc(OC)cc2)c2ccccc2n1
InChIInChI=1S/C18H17N3O3/c1-3-24-18(22)17-20-15-7-5-4-6-14(15)16(21-17)19-12-8-10-13(23-2)11-9-12/h4-11H,3H2,1-2H3,(H,19,20,21)
InChIKeyGSFBLAPKUOMYIP-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.56
Rot. Bonds5

About ethyl 4-(4-methoxyanilino)quinazoline-2-carboxylate

ethyl 4-(4-methoxyanilino)quinazoline-2-carboxylate (PubChem CID 731978) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 4-(4-methoxyanilino)quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxyanilino)quinazoline-2-carboxylate
PubChem CID731978
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Nameethyl 4-(4-methoxyanilino)quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(Nc2ccc(OC)cc2)c2ccccc2n1
InChIInChI=1S/C18H17N3O3/c1-3-24-18(22)17-20-15-7-5-4-6-14(15)16(21-17)19-12-8-10-13(23-2)11-9-12/h4-11H,3H2,1-2H3,(H,19,20,21)
InChIKeyGSFBLAPKUOMYIP-UHFFFAOYSA-N
XLogP3.56
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Verubulin
CID 11414799
CP-31398
CID 9950868
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
N-(4-phenoxyphenyl)quinazolin-4-amine
CID 712152
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
6-methoxy-N-phenylquinazolin-4-amine
CID 5328186
N-(4-methoxyphenyl)-6-methylquinazolin-4-amine
CID 721008
(2-Fluoromethyl-quinazolin-4-yl)-(4-methoxy-phenyl)-methyl-amine
CID 11208709
2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
CID 11738112
N-(4-methoxyphenyl)-4-methylquinolin-2-amine
CID 812368
N-(2-methoxyphenyl)quinazolin-4-amine
CID 714435
LY-456236
CID 9926998

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxyanilino)quinazoline-2-carboxylate?
The IUPAC name of ethyl 4-(4-methoxyanilino)quinazoline-2-carboxylate (CID 731978) is ethyl 4-(4-methoxyanilino)quinazoline-2-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxyanilino)quinazoline-2-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxyanilino)quinazoline-2-carboxylate is CCOC(=O)c1nc(Nc2ccc(OC)cc2)c2ccccc2n1.
What is the InChIKey of ethyl 4-(4-methoxyanilino)quinazoline-2-carboxylate?
The InChIKey is GSFBLAPKUOMYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-3-24-18(22)17-20-15-7-5-4-6-14(15)16(21-17)19-12-8-10-13(23-2)11-9-12/h4-11H,3H2,1-2H3,(H,19,20,21).
What are the key properties of ethyl 4-(4-methoxyanilino)quinazoline-2-carboxylate?
ethyl 4-(4-methoxyanilino)quinazoline-2-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxyanilino)quinazoline-2-carboxylate is sourced from PubChem (CID 731978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).