ethyl 4-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate

C27H26N4O5 — CID 24758429

IUPACethyl 4-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate
SMILESCCOC(=O)c1ccc(C(=O)Nc2cccc(-c3nc(NC)nc4cc(OC)c(OC)cc34)c2)cc1
InChIInChI=1S/C27H26N4O5/c1-5-36-26(33)17-11-9-16(10-12-17)25(32)29-19-8-6-7-18(13-19)24-20-14-22(34-3)23(35-4)15-21(20)30-27(28-2)31-24/h6-15H,5H2,1-4H3,(H,29,32)(H,28,30,31)
InChIKeyUEGALBCCTATCMR-UHFFFAOYSA-N
MW486.53 g/mol
LogP4.78
Rot. Bonds8

About ethyl 4-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate

ethyl 4-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate (PubChem CID 24758429) has the molecular formula C27H26N4O5 and a molecular weight of 486.53 g/mol. Its IUPAC name is ethyl 4-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate
PubChem CID24758429
Molecular FormulaC27H26N4O5
Molecular Weight486.53 g/mol
Exact Mass486.19
IUPAC Nameethyl 4-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate
SMILESCCOC(=O)c1ccc(C(=O)Nc2cccc(-c3nc(NC)nc4cc(OC)c(OC)cc34)c2)cc1
InChIInChI=1S/C27H26N4O5/c1-5-36-26(33)17-11-9-16(10-12-17)25(32)29-19-8-6-7-18(13-19)24-20-14-22(34-3)23(35-4)15-21(20)30-27(28-2)31-24/h6-15H,5H2,1-4H3,(H,29,32)(H,28,30,31)
InChIKeyUEGALBCCTATCMR-UHFFFAOYSA-N
XLogP4.78
TPSA111.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate with MolForge

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Related Compounds

1-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 66646483
3-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 66646442
4-[[3-[6-(hydroxymethyl)-7-methoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoic acid;hydrochloride
CID 162161299
methyl 3-[[3-[6-(hydroxymethyl)-7-methoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate
CID 59030756
acetic acid;2-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-phenylethanone
CID 123882053
3-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]-2-ethylphenyl]carbamoyl]benzoic acid
CID 141261290
ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate
CID 9228357
ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate
CID 2677147
ethyl 3-[(4-propan-2-ylbenzoyl)amino]benzoate
CID 1406449
ethyl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 883989
methyl 4-[[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]carbamoyl]benzoate
CID 19081644
ethyl 4-[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 4580773

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate?
The IUPAC name of ethyl 4-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate (CID 24758429) is ethyl 4-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate.
What is the SMILES notation for ethyl 4-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate?
The canonical SMILES for ethyl 4-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate is CCOC(=O)c1ccc(C(=O)Nc2cccc(-c3nc(NC)nc4cc(OC)c(OC)cc34)c2)cc1.
What is the InChIKey of ethyl 4-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate?
The InChIKey is UEGALBCCTATCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O5/c1-5-36-26(33)17-11-9-16(10-12-17)25(32)29-19-8-6-7-18(13-19)24-20-14-22(34-3)23(35-4)15-21(20)30-27(28-2)31-24/h6-15H,5H2,1-4H3,(H,29,32)(H,28,30,31).
What are the key properties of ethyl 4-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate?
ethyl 4-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate has a molecular weight of 486.53 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate is sourced from PubChem (CID 24758429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).