3-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-N-ethylbenzene-1,3-dicarboxamide

C27H27N5O4 — CID 66646442

IUPAC3-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-N-ethylbenzene-1,3-dicarboxamide
SMILESCCNC(=O)c1cccc(C(=O)Nc2cccc(-c3nc(NC)nc4cc(OC)c(OC)cc34)c2)c1
InChIInChI=1S/C27H27N5O4/c1-5-29-25(33)17-9-6-10-18(12-17)26(34)30-19-11-7-8-16(13-19)24-20-14-22(35-3)23(36-4)15-21(20)31-27(28-2)32-24/h6-15H,5H2,1-4H3,(H,29,33)(H,30,34)(H,28,31,32)
InChIKeyVQWNJOCMVQLDOP-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.36
Rot. Bonds8

About 3-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-N-ethylbenzene-1,3-dicarboxamide

3-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-N-ethylbenzene-1,3-dicarboxamide (PubChem CID 66646442) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is 3-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-N-ethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-N-ethylbenzene-1,3-dicarboxamide
PubChem CID66646442
Molecular FormulaC27H27N5O4
Molecular Weight485.54 g/mol
Exact Mass485.21
IUPAC Name3-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-N-ethylbenzene-1,3-dicarboxamide
SMILESCCNC(=O)c1cccc(C(=O)Nc2cccc(-c3nc(NC)nc4cc(OC)c(OC)cc34)c2)c1
InChIInChI=1S/C27H27N5O4/c1-5-29-25(33)17-9-6-10-18(12-17)26(34)30-19-11-7-8-16(13-19)24-20-14-22(35-3)23(36-4)15-21(20)31-27(28-2)32-24/h6-15H,5H2,1-4H3,(H,29,33)(H,30,34)(H,28,31,32)
InChIKeyVQWNJOCMVQLDOP-UHFFFAOYSA-N
XLogP4.36
TPSA114.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-N-ethylbenzene-1,3-dicarboxamide with MolForge

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Related Compounds

ethyl 4-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate
CID 24758429
1-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 66646483
methyl 3-[[3-[6-(hydroxymethyl)-7-methoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate
CID 59030756
1-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-3-phenylurea
CID 22663120
4-[[3-[6-(hydroxymethyl)-7-methoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoic acid;hydrochloride
CID 162161299
3-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]-2-ethylphenyl]carbamoyl]benzoic acid
CID 141261290
acetic acid;2-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-phenylethanone
CID 123882053
4-(3-aminophenyl)-6,7-dimethoxy-N-methylquinazolin-2-amine
CID 15540531
N-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17439182
3,5-dichloro-N-[3-(ethylcarbamoyl)phenyl]-4-methoxybenzamide
CID 51217682
1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide
CID 70972162
methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17230817

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-N-ethylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-N-ethylbenzene-1,3-dicarboxamide (CID 66646442) is 3-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-N-ethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-N-ethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-N-ethylbenzene-1,3-dicarboxamide is CCNC(=O)c1cccc(C(=O)Nc2cccc(-c3nc(NC)nc4cc(OC)c(OC)cc34)c2)c1.
What is the InChIKey of 3-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-N-ethylbenzene-1,3-dicarboxamide?
The InChIKey is VQWNJOCMVQLDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4/c1-5-29-25(33)17-9-6-10-18(12-17)26(34)30-19-11-7-8-16(13-19)24-20-14-22(35-3)23(36-4)15-21(20)31-27(28-2)32-24/h6-15H,5H2,1-4H3,(H,29,33)(H,30,34)(H,28,31,32).
What are the key properties of 3-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-N-ethylbenzene-1,3-dicarboxamide?
3-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-N-ethylbenzene-1,3-dicarboxamide has a molecular weight of 485.54 g/mol, XLogP of 4.36, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-N-ethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 66646442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).