ethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate

C19H17N3O4 — CID 1192533

IUPACethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(Nc2cccc(C(=O)OC)c2)c2ccccc2n1
InChIInChI=1S/C19H17N3O4/c1-3-26-19(24)17-21-15-10-5-4-9-14(15)16(22-17)20-13-8-6-7-12(11-13)18(23)25-2/h4-11H,3H2,1-2H3,(H,20,21,22)
InChIKeyUUOAEQOLJQWRBR-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.34
Rot. Bonds5

About ethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate

ethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate (PubChem CID 1192533) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is ethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate
PubChem CID1192533
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Nameethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(Nc2cccc(C(=O)OC)c2)c2ccccc2n1
InChIInChI=1S/C19H17N3O4/c1-3-26-19(24)17-21-15-10-5-4-9-14(15)16(22-17)20-13-8-6-7-12(11-13)18(23)25-2/h4-11H,3H2,1-2H3,(H,20,21,22)
InChIKeyUUOAEQOLJQWRBR-UHFFFAOYSA-N
XLogP3.34
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate
CID 1192536
ethyl 4-(3,5-dimethoxyanilino)quinazoline-2-carboxylate
CID 6615329
ethyl 3-[(2-pentan-3-ylquinazolin-4-yl)amino]benzoate
CID 23734012
methyl 3-[[4-(4-methylanilino)quinazolin-2-yl]amino]benzoate
CID 71690613
methyl 3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate
CID 71689070
ethyl 4-[4-(trifluoromethyl)anilino]quinazoline-2-carboxylate
CID 6615271
ethyl 4-(2,5-difluoroanilino)quinazoline-2-carboxylate
CID 46349613
ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate
CID 1192543
ethyl 4-(4-chloro-2-methoxy-5-methylanilino)quinazoline-2-carboxylate
CID 20965956
N-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide
CID 20966077
2-[4-(3-methoxycarbonylanilino)quinolin-2-yl]acetic acid
CID 110435490
4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide
CID 173217946

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate?
The IUPAC name of ethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate (CID 1192533) is ethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate.
What is the SMILES notation for ethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate?
The canonical SMILES for ethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate is CCOC(=O)c1nc(Nc2cccc(C(=O)OC)c2)c2ccccc2n1.
What is the InChIKey of ethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate?
The InChIKey is UUOAEQOLJQWRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-3-26-19(24)17-21-15-10-5-4-9-14(15)16(22-17)20-13-8-6-7-12(11-13)18(23)25-2/h4-11H,3H2,1-2H3,(H,20,21,22).
What are the key properties of ethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate?
ethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate is sourced from PubChem (CID 1192533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).