ethyl 4-[(6-methylquinazolin-4-yl)amino]benzoate

C18H17N3O2 — CID 721015

IUPACethyl 4-[(6-methylquinazolin-4-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ncnc3ccc(C)cc23)cc1
InChIInChI=1S/C18H17N3O2/c1-3-23-18(22)13-5-7-14(8-6-13)21-17-15-10-12(2)4-9-16(15)19-11-20-17/h4-11H,3H2,1-2H3,(H,19,20,21)
InChIKeyRDXWHRXAEHLSIG-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.86
Rot. Bonds4

About ethyl 4-[(6-methylquinazolin-4-yl)amino]benzoate

ethyl 4-[(6-methylquinazolin-4-yl)amino]benzoate (PubChem CID 721015) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 4-[(6-methylquinazolin-4-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(6-methylquinazolin-4-yl)amino]benzoate
PubChem CID721015
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Nameethyl 4-[(6-methylquinazolin-4-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ncnc3ccc(C)cc23)cc1
InChIInChI=1S/C18H17N3O2/c1-3-23-18(22)13-5-7-14(8-6-13)21-17-15-10-12(2)4-9-16(15)19-11-20-17/h4-11H,3H2,1-2H3,(H,19,20,21)
InChIKeyRDXWHRXAEHLSIG-UHFFFAOYSA-N
XLogP3.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-amino-6,7,8,9-tetrahydro-2-methyl-4-phenylbenzo(1,8)naphthyridine-3-carboxylate
CID 6918662
Ethyl 4-((4-(diethylamino)phenyl)amino)-6-methylquinoline-3-carboxylate
CID 1568449
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
Ethyl 5-Amino-2-methyl-6,7,8,9-tetrahydrobenzo(b)(1,8)naphthyridine-3-carboxylate
CID 46861819
3-[(6-Methylquinazolin-4-yl)amino]benzoic acid
CID 735129
4-{[4-(Biphenyl-2-Ylamino)pyrimidin-2-Yl]amino}benzoic Acid
CID 56587962
Ethyl 4-((2-(pyridin-3-yl)quinazolin-4-yl)amino)benzoate
CID 1186128
(4-Benzyloxy-phenyl)-(6-furan-2-yl-quinazolin-4-yl)-amine
CID 22609796
Ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate
CID 696527
Ethyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate
CID 734458

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-methylquinazolin-4-yl)amino]benzoate?
The IUPAC name of ethyl 4-[(6-methylquinazolin-4-yl)amino]benzoate (CID 721015) is ethyl 4-[(6-methylquinazolin-4-yl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(6-methylquinazolin-4-yl)amino]benzoate?
The canonical SMILES for ethyl 4-[(6-methylquinazolin-4-yl)amino]benzoate is CCOC(=O)c1ccc(Nc2ncnc3ccc(C)cc23)cc1.
What is the InChIKey of ethyl 4-[(6-methylquinazolin-4-yl)amino]benzoate?
The InChIKey is RDXWHRXAEHLSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-3-23-18(22)13-5-7-14(8-6-13)21-17-15-10-12(2)4-9-16(15)19-11-20-17/h4-11H,3H2,1-2H3,(H,19,20,21).
What are the key properties of ethyl 4-[(6-methylquinazolin-4-yl)amino]benzoate?
ethyl 4-[(6-methylquinazolin-4-yl)amino]benzoate has a molecular weight of 307.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-methylquinazolin-4-yl)amino]benzoate is sourced from PubChem (CID 721015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).