N-(1-acetylpiperidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide

C22H29N5O3 — CID 58082546

IUPACN-(1-acetylpiperidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2cccc3cnc(NC4CCC(O)CC4)nc23)CC1
InChIInChI=1S/C22H29N5O3/c1-14(28)27-11-9-17(10-12-27)24-21(30)19-4-2-3-15-13-23-22(26-20(15)19)25-16-5-7-18(29)8-6-16/h2-4,13,16-18,29H,5-12H2,1H3,(H,24,30)(H,23,25,26)
InChIKeyZCDPEIOVWDNLJT-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.09
Rot. Bonds4

About N-(1-acetylpiperidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide

N-(1-acetylpiperidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide (PubChem CID 58082546) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
PubChem CID58082546
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2cccc3cnc(NC4CCC(O)CC4)nc23)CC1
InChIInChI=1S/C22H29N5O3/c1-14(28)27-11-9-17(10-12-27)24-21(30)19-4-2-3-15-13-23-22(26-20(15)19)25-16-5-7-18(29)8-6-16/h2-4,13,16-18,29H,5-12H2,1H3,(H,24,30)(H,23,25,26)
InChIKeyZCDPEIOVWDNLJT-UHFFFAOYSA-N
XLogP2.09
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)quinazoline-8-carboxamide
CID 58082154
N-(2,6-dimethylpyrimidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
CID 58082203
N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
CID 58082318
2-[(4-hydroxycyclohexyl)amino]-N-[(2S)-2-hydroxy-2-phenylethyl]quinazoline-8-carboxamide
CID 58082372
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
CID 58082639
2-[(4-hydroxycyclohexyl)amino]-N-(1-pyrazol-1-ylpropan-2-yl)quinazoline-8-carboxamide
CID 58082595
2-[(4-hydroxycyclohexyl)amino]-N-(1-pyridin-4-ylcyclopropyl)quinazoline-8-carboxamide
CID 58082700
2-(cyclohexylamino)-N-(oxolan-3-yl)quinazoline-8-carboxamide
CID 71159589
N-(2-hydroxycyclopentyl)-2-[[4-[methyl(methylsulfonyl)amino]cyclohexyl]amino]quinazoline-8-carboxamide
CID 67337132
2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63616571
2-(cyclopropylamino)-4-ethoxy-N-[(1R,4S)-4-hydroxycyclooctyl]pyrimidine-5-carboxamide
CID 173027050
tert-butyl 4-(1H-benzimidazole-4-carbonylamino)piperidine-1-carboxylate
CID 140513124

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide (CID 58082546) is N-(1-acetylpiperidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide is CC(=O)N1CCC(NC(=O)c2cccc3cnc(NC4CCC(O)CC4)nc23)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide?
The InChIKey is ZCDPEIOVWDNLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-14(28)27-11-9-17(10-12-27)24-21(30)19-4-2-3-15-13-23-22(26-20(15)19)25-16-5-7-18(29)8-6-16/h2-4,13,16-18,29H,5-12H2,1H3,(H,24,30)(H,23,25,26).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide?
N-(1-acetylpiperidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide is sourced from PubChem (CID 58082546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).