N-(2-hydroxycyclopentyl)-2-[[4-[methyl(methylsulfonyl)amino]cyclohexyl]amino]quinazoline-8-carboxamide

C22H31N5O4S — CID 67337132

IUPACN-(2-hydroxycyclopentyl)-2-[[4-[methyl(methylsulfonyl)amino]cyclohexyl]amino]quinazoline-8-carboxamide
SMILESCN(C1CCC(Nc2ncc3cccc(C(=O)NC4CCCC4O)c3n2)CC1)S(C)(=O)=O
InChIInChI=1S/C22H31N5O4S/c1-27(32(2,30)31)16-11-9-15(10-12-16)24-22-23-13-14-5-3-6-17(20(14)26-22)21(29)25-18-7-4-8-19(18)28/h3,5-6,13,15-16,18-19,28H,4,7-12H2,1-2H3,(H,25,29)(H,23,24,26)
InChIKeyRLOPKRRAPAJCKC-UHFFFAOYSA-N
MW461.59 g/mol
LogP1.89
Rot. Bonds6

About N-(2-hydroxycyclopentyl)-2-[[4-[methyl(methylsulfonyl)amino]cyclohexyl]amino]quinazoline-8-carboxamide

N-(2-hydroxycyclopentyl)-2-[[4-[methyl(methylsulfonyl)amino]cyclohexyl]amino]quinazoline-8-carboxamide (PubChem CID 67337132) has the molecular formula C22H31N5O4S and a molecular weight of 461.59 g/mol. Its IUPAC name is N-(2-hydroxycyclopentyl)-2-[[4-[methyl(methylsulfonyl)amino]cyclohexyl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclopentyl)-2-[[4-[methyl(methylsulfonyl)amino]cyclohexyl]amino]quinazoline-8-carboxamide
PubChem CID67337132
Molecular FormulaC22H31N5O4S
Molecular Weight461.59 g/mol
Exact Mass461.21
IUPAC NameN-(2-hydroxycyclopentyl)-2-[[4-[methyl(methylsulfonyl)amino]cyclohexyl]amino]quinazoline-8-carboxamide
SMILESCN(C1CCC(Nc2ncc3cccc(C(=O)NC4CCCC4O)c3n2)CC1)S(C)(=O)=O
InChIInChI=1S/C22H31N5O4S/c1-27(32(2,30)31)16-11-9-15(10-12-16)24-22-23-13-14-5-3-6-17(20(14)26-22)21(29)25-18-7-4-8-19(18)28/h3,5-6,13,15-16,18-19,28H,4,7-12H2,1-2H3,(H,25,29)(H,23,24,26)
InChIKeyRLOPKRRAPAJCKC-UHFFFAOYSA-N
XLogP1.89
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(2-hydroxycyclopentyl)-2-[[4-[methyl(methylsulfonyl)amino]cyclohexyl]amino]quinazoline-8-carboxamide with MolForge

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Related Compounds

2-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)quinazoline-8-carboxamide
CID 58082154
N-(1-acetylpiperidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
CID 58082546
2-(cyclohexylamino)-N-(oxolan-3-yl)quinazoline-8-carboxamide
CID 71159589
N-(2,6-dimethylpyrimidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
CID 58082203
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
CID 58082639
2-[(4-hydroxycyclohexyl)amino]-N-[(2S)-2-hydroxy-2-phenylethyl]quinazoline-8-carboxamide
CID 58082372
2-[(4-hydroxycyclohexyl)amino]-N-(1-pyridin-4-ylcyclopropyl)quinazoline-8-carboxamide
CID 58082700
2-[(4-hydroxycyclohexyl)amino]-N-(1-pyrazol-1-ylpropan-2-yl)quinazoline-8-carboxamide
CID 58082595
N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
CID 58082318
N-(2-hydroxycycloheptyl)quinoxaline-5-carboxamide
CID 104615428
2,3-difluoro-N-[4-[(4-methoxy-5-methylpyrimidin-2-yl)amino]cyclohexyl]benzamide
CID 141176337
4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237054

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclopentyl)-2-[[4-[methyl(methylsulfonyl)amino]cyclohexyl]amino]quinazoline-8-carboxamide?
The IUPAC name of N-(2-hydroxycyclopentyl)-2-[[4-[methyl(methylsulfonyl)amino]cyclohexyl]amino]quinazoline-8-carboxamide (CID 67337132) is N-(2-hydroxycyclopentyl)-2-[[4-[methyl(methylsulfonyl)amino]cyclohexyl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclopentyl)-2-[[4-[methyl(methylsulfonyl)amino]cyclohexyl]amino]quinazoline-8-carboxamide?
The canonical SMILES for N-(2-hydroxycyclopentyl)-2-[[4-[methyl(methylsulfonyl)amino]cyclohexyl]amino]quinazoline-8-carboxamide is CN(C1CCC(Nc2ncc3cccc(C(=O)NC4CCCC4O)c3n2)CC1)S(C)(=O)=O.
What is the InChIKey of N-(2-hydroxycyclopentyl)-2-[[4-[methyl(methylsulfonyl)amino]cyclohexyl]amino]quinazoline-8-carboxamide?
The InChIKey is RLOPKRRAPAJCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4S/c1-27(32(2,30)31)16-11-9-15(10-12-16)24-22-23-13-14-5-3-6-17(20(14)26-22)21(29)25-18-7-4-8-19(18)28/h3,5-6,13,15-16,18-19,28H,4,7-12H2,1-2H3,(H,25,29)(H,23,24,26).
What are the key properties of N-(2-hydroxycyclopentyl)-2-[[4-[methyl(methylsulfonyl)amino]cyclohexyl]amino]quinazoline-8-carboxamide?
N-(2-hydroxycyclopentyl)-2-[[4-[methyl(methylsulfonyl)amino]cyclohexyl]amino]quinazoline-8-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclopentyl)-2-[[4-[methyl(methylsulfonyl)amino]cyclohexyl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 67337132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).