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

C20H19N3O4 — CID 1192534

IUPACethyl 4-(3-ethoxycarbonylanilino)quinazoline-2-carboxylate
SMILESCCOC(=O)c1cccc(Nc2nc(C(=O)OCC)nc3ccccc23)c1
InChIInChI=1S/C20H19N3O4/c1-3-26-19(24)13-8-7-9-14(12-13)21-17-15-10-5-6-11-16(15)22-18(23-17)20(25)27-4-2/h5-12H,3-4H2,1-2H3,(H,21,22,23)
InChIKeyFOJITSJJQPIEQX-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.73
Rot. Bonds6

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

ethyl 4-(3-ethoxycarbonylanilino)quinazoline-2-carboxylate (PubChem CID 1192534) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 4-(3-ethoxycarbonylanilino)quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-ethoxycarbonylanilino)quinazoline-2-carboxylate
PubChem CID1192534
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Nameethyl 4-(3-ethoxycarbonylanilino)quinazoline-2-carboxylate
SMILESCCOC(=O)c1cccc(Nc2nc(C(=O)OCC)nc3ccccc23)c1
InChIInChI=1S/C20H19N3O4/c1-3-26-19(24)13-8-7-9-14(12-13)21-17-15-10-5-6-11-16(15)22-18(23-17)20(25)27-4-2/h5-12H,3-4H2,1-2H3,(H,21,22,23)
InChIKeyFOJITSJJQPIEQX-UHFFFAOYSA-N
XLogP3.73
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 3-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate
CID 1418188
Stk008107
CID 694929
3-(2-Pyridin-3-yl-quinazolin-4-ylamino)-benzoic acid methyl ester
CID 1186125
3-{[2-(Trifluoromethyl)-4-quinazolinyl]amino}benzoic acid hydrochloride
CID 2990613
Ethyl 4-(4-methoxyanilino)-2-quinazolinecarboxylate
CID 731978
Ethyl 4-[(3-methylphenyl)amino]quinazoline-2-carboxylate
CID 5053604
Benzyl 2,4-diaminoquinazoline-6-carboxylate
CID 487401
(2,4-Diaminoquinazolin-6-yl)methyl benzoate
CID 487402
Ethyl 3-[[[(2-methyl-4-quinolinyl)amino]carbonyl]amino]benzoate
CID 22745126
Benzoic acid 4-(4-phenylamino-quinazolin-2-ylamino)-cyclohexyl ester
CID 44271638
2-Methylquinazoline-4-carboxylic acid
CID 362511
Ethyl 4-[(6-methylquinazolin-4-yl)amino]benzoate
CID 721015

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-ethoxycarbonylanilino)quinazoline-2-carboxylate?
The IUPAC name of ethyl 4-(3-ethoxycarbonylanilino)quinazoline-2-carboxylate (CID 1192534) is ethyl 4-(3-ethoxycarbonylanilino)quinazoline-2-carboxylate.
What is the SMILES notation for ethyl 4-(3-ethoxycarbonylanilino)quinazoline-2-carboxylate?
The canonical SMILES for ethyl 4-(3-ethoxycarbonylanilino)quinazoline-2-carboxylate is CCOC(=O)c1cccc(Nc2nc(C(=O)OCC)nc3ccccc23)c1.
What is the InChIKey of ethyl 4-(3-ethoxycarbonylanilino)quinazoline-2-carboxylate?
The InChIKey is FOJITSJJQPIEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-3-26-19(24)13-8-7-9-14(12-13)21-17-15-10-5-6-11-16(15)22-18(23-17)20(25)27-4-2/h5-12H,3-4H2,1-2H3,(H,21,22,23).
What are the key properties of ethyl 4-(3-ethoxycarbonylanilino)quinazoline-2-carboxylate?
ethyl 4-(3-ethoxycarbonylanilino)quinazoline-2-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-ethoxycarbonylanilino)quinazoline-2-carboxylate is sourced from PubChem (CID 1192534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).