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

C27H27N5O4 — CID 66646483

IUPAC1-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
SMILESCNc1nc(-c2cccc(NC(=O)c3ccc(C(=O)N(C)C)cc3)c2)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C27H27N5O4/c1-28-27-30-21-15-23(36-5)22(35-4)14-20(21)24(31-27)18-7-6-8-19(13-18)29-25(33)16-9-11-17(12-10-16)26(34)32(2)3/h6-15H,1-5H3,(H,29,33)(H,28,30,31)
InChIKeyKWSNORMOWIJDFY-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.31
Rot. Bonds7

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

1-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide (PubChem CID 66646483) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is 1-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
PubChem CID66646483
Molecular FormulaC27H27N5O4
Molecular Weight485.54 g/mol
Exact Mass485.21
IUPAC Name1-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
SMILESCNc1nc(-c2cccc(NC(=O)c3ccc(C(=O)N(C)C)cc3)c2)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C27H27N5O4/c1-28-27-30-21-15-23(36-5)22(35-4)14-20(21)24(31-27)18-7-6-8-19(13-18)29-25(33)16-9-11-17(12-10-16)26(34)32(2)3/h6-15H,1-5H3,(H,29,33)(H,28,30,31)
InChIKeyKWSNORMOWIJDFY-UHFFFAOYSA-N
XLogP4.31
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-N,4-N-dimethylbenzene-1,4-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
3-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 66646442
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
methyl 3-[[3-[6-(hydroxymethyl)-7-methoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate
CID 59030756
4-(3-aminophenyl)-6,7-dimethoxy-N-methylquinazolin-2-amine
CID 15540531
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
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide
CID 5018775
3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 30379129
1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 58205221

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide (CID 66646483) is 1-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide is CNc1nc(-c2cccc(NC(=O)c3ccc(C(=O)N(C)C)cc3)c2)c2cc(OC)c(OC)cc2n1.
What is the InChIKey of 1-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide?
The InChIKey is KWSNORMOWIJDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4/c1-28-27-30-21-15-23(36-5)22(35-4)14-20(21)24(31-27)18-7-6-8-19(13-18)29-25(33)16-9-11-17(12-10-16)26(34)32(2)3/h6-15H,1-5H3,(H,29,33)(H,28,30,31).
What are the key properties of 1-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide?
1-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide has a molecular weight of 485.54 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 66646483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).