4-[[7-[(1-methylpiperidin-4-yl)amino]quinazolin-2-yl]amino]-N-propan-2-ylbenzamide

C24H30N6O — CID 67101940

IUPAC4-[[7-[(1-methylpiperidin-4-yl)amino]quinazolin-2-yl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Nc2ncc3ccc(NC4CCN(C)CC4)cc3n2)cc1
InChIInChI=1S/C24H30N6O/c1-16(2)26-23(31)17-4-7-19(8-5-17)28-24-25-15-18-6-9-21(14-22(18)29-24)27-20-10-12-30(3)13-11-20/h4-9,14-16,20,27H,10-13H2,1-3H3,(H,26,31)(H,25,28,29)
InChIKeyCKCGOXHLSZJMBJ-UHFFFAOYSA-N
MW418.55 g/mol
LogP4.02
Rot. Bonds6

About 4-[[7-[(1-methylpiperidin-4-yl)amino]quinazolin-2-yl]amino]-N-propan-2-ylbenzamide

4-[[7-[(1-methylpiperidin-4-yl)amino]quinazolin-2-yl]amino]-N-propan-2-ylbenzamide (PubChem CID 67101940) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 4-[[7-[(1-methylpiperidin-4-yl)amino]quinazolin-2-yl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[7-[(1-methylpiperidin-4-yl)amino]quinazolin-2-yl]amino]-N-propan-2-ylbenzamide
PubChem CID67101940
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name4-[[7-[(1-methylpiperidin-4-yl)amino]quinazolin-2-yl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Nc2ncc3ccc(NC4CCN(C)CC4)cc3n2)cc1
InChIInChI=1S/C24H30N6O/c1-16(2)26-23(31)17-4-7-19(8-5-17)28-24-25-15-18-6-9-21(14-22(18)29-24)27-20-10-12-30(3)13-11-20/h4-9,14-16,20,27H,10-13H2,1-3H3,(H,26,31)(H,25,28,29)
InChIKeyCKCGOXHLSZJMBJ-UHFFFAOYSA-N
XLogP4.02
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(cyclopentylamino)-5-nitropyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 118734735
2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide
CID 58082418
4-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]cyclohexan-1-ol
CID 163290805
methane;N-(1-methylpiperidin-4-yl)-4-[[4-[[(1R,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 158698193
4-[[5-chloro-4-[3-[(1-prop-2-enoylazetidin-3-yl)amino]phenoxy]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 72702953
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine
CID 175725425
4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 11518075
2-[(4-hydroxycyclohexyl)amino]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide
CID 58082378
2-(cyclopentylamino)-N-[(2S)-1-hydroxypentan-2-yl]quinazoline-7-carboxamide
CID 58082625
N-(1-methylpiperidin-4-yl)-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide
CID 44563117
4-[(9-cyclopentyl-7,7-difluoro-6-oxo-5,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 58015148
3-(cycloheptylamino)-N-propan-2-ylbenzamide
CID 43693920

Frequently Asked Questions

What is the IUPAC name of 4-[[7-[(1-methylpiperidin-4-yl)amino]quinazolin-2-yl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[7-[(1-methylpiperidin-4-yl)amino]quinazolin-2-yl]amino]-N-propan-2-ylbenzamide (CID 67101940) is 4-[[7-[(1-methylpiperidin-4-yl)amino]quinazolin-2-yl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[7-[(1-methylpiperidin-4-yl)amino]quinazolin-2-yl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[7-[(1-methylpiperidin-4-yl)amino]quinazolin-2-yl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(Nc2ncc3ccc(NC4CCN(C)CC4)cc3n2)cc1.
What is the InChIKey of 4-[[7-[(1-methylpiperidin-4-yl)amino]quinazolin-2-yl]amino]-N-propan-2-ylbenzamide?
The InChIKey is CKCGOXHLSZJMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-16(2)26-23(31)17-4-7-19(8-5-17)28-24-25-15-18-6-9-21(14-22(18)29-24)27-20-10-12-30(3)13-11-20/h4-9,14-16,20,27H,10-13H2,1-3H3,(H,26,31)(H,25,28,29).
What are the key properties of 4-[[7-[(1-methylpiperidin-4-yl)amino]quinazolin-2-yl]amino]-N-propan-2-ylbenzamide?
4-[[7-[(1-methylpiperidin-4-yl)amino]quinazolin-2-yl]amino]-N-propan-2-ylbenzamide has a molecular weight of 418.55 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[(1-methylpiperidin-4-yl)amino]quinazolin-2-yl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 67101940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).