4-[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide

C25H24N4O2 — CID 3233030

IUPAC4-[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide
SMILESCOc1ccccc1CNc1nc(-c2ccc(C(=O)N(C)C)cc2)nc2ccccc12
InChIInChI=1S/C25H24N4O2/c1-29(2)25(30)18-14-12-17(13-15-18)23-27-21-10-6-5-9-20(21)24(28-23)26-16-19-8-4-7-11-22(19)31-3/h4-15H,16H2,1-3H3,(H,26,27,28)
InChIKeyCYNCKEPMUMXTOI-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.62
Rot. Bonds6

About 4-[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide

4-[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide (PubChem CID 3233030) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide
PubChem CID3233030
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name4-[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide
SMILESCOc1ccccc1CNc1nc(-c2ccc(C(=O)N(C)C)cc2)nc2ccccc12
InChIInChI=1S/C25H24N4O2/c1-29(2)25(30)18-14-12-17(13-15-18)23-27-21-10-6-5-9-20(21)24(28-23)26-16-19-8-4-7-11-22(19)31-3/h4-15H,16H2,1-3H3,(H,26,27,28)
InChIKeyCYNCKEPMUMXTOI-UHFFFAOYSA-N
XLogP4.62
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CP-31398
CID 9950868
Ssr161421
CID 10201497
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxy-N,N-diethylbenzamide
CID 46898100
CP 31398 Dihydrochloride
CID 56972205
2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-1H-quinazolin-4-one
CID 135449223
N-[[5-(3-phenylprop-2-ynoylamino)-2-propoxyphenyl]methyl]-4-pyrimidin-2-ylbenzamide
CID 117979460
2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 3233294
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methylbenzamide
CID 10072518
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methyl-4-[[methyl-[6-(methylamino)hexyl]amino]methyl]benzamide
CID 10651334
(E)-N-hydroxy-3-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]prop-2-enamide
CID 168291933
1-(4-Methylphenyl)-2-(2-methylquinazolin-4-yl)oxyethanone
CID 2447889

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide (CID 3233030) is 4-[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide is COc1ccccc1CNc1nc(-c2ccc(C(=O)N(C)C)cc2)nc2ccccc12.
What is the InChIKey of 4-[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is CYNCKEPMUMXTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-29(2)25(30)18-14-12-17(13-15-18)23-27-21-10-6-5-9-20(21)24(28-23)26-16-19-8-4-7-11-22(19)31-3/h4-15H,16H2,1-3H3,(H,26,27,28).
What are the key properties of 4-[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide?
4-[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 412.49 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 3233030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).