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

C20H26N4O3 — CID 58082154

IUPAC2-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)quinazoline-8-carboxamide
SMILESO=C(NC1CCOCC1)c1cccc2cnc(NC3CCC(O)CC3)nc12
InChIInChI=1S/C20H26N4O3/c25-16-6-4-14(5-7-16)23-20-21-12-13-2-1-3-17(18(13)24-20)19(26)22-15-8-10-27-11-9-15/h1-3,12,14-16,25H,4-11H2,(H,22,26)(H,21,23,24)
InChIKeySVKJTSSJCQUNOR-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.25
Rot. Bonds4

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

2-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)quinazoline-8-carboxamide (PubChem CID 58082154) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)quinazoline-8-carboxamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)quinazoline-8-carboxamide
PubChem CID58082154
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)quinazoline-8-carboxamide
SMILESO=C(NC1CCOCC1)c1cccc2cnc(NC3CCC(O)CC3)nc12
InChIInChI=1S/C20H26N4O3/c25-16-6-4-14(5-7-16)23-20-21-12-13-2-1-3-17(18(13)24-20)19(26)22-15-8-10-27-11-9-15/h1-3,12,14-16,25H,4-11H2,(H,22,26)(H,21,23,24)
InChIKeySVKJTSSJCQUNOR-UHFFFAOYSA-N
XLogP2.25
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclohexylamino)-N-(oxolan-3-yl)quinazoline-8-carboxamide
CID 71159589
N-(1-acetylpiperidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
CID 58082546
2-[(4-hydroxycyclohexyl)amino]-N-[(2S)-2-hydroxy-2-phenylethyl]quinazoline-8-carboxamide
CID 58082372
N-(2,6-dimethylpyrimidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
CID 58082203
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-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
CID 58082639
N-(2-hydroxycyclopentyl)-2-[[4-[methyl(methylsulfonyl)amino]cyclohexyl]amino]quinazoline-8-carboxamide
CID 67337132
N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
CID 58082318
6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 169158099
N-(oxan-4-yl)quinazolin-2-amine
CID 114788886
2-iodo-N-(oxan-4-yl)benzamide
CID 61063086

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)quinazoline-8-carboxamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)quinazoline-8-carboxamide (CID 58082154) is 2-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)quinazoline-8-carboxamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)quinazoline-8-carboxamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)quinazoline-8-carboxamide is O=C(NC1CCOCC1)c1cccc2cnc(NC3CCC(O)CC3)nc12.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)quinazoline-8-carboxamide?
The InChIKey is SVKJTSSJCQUNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-16-6-4-14(5-7-16)23-20-21-12-13-2-1-3-17(18(13)24-20)19(26)22-15-8-10-27-11-9-15/h1-3,12,14-16,25H,4-11H2,(H,22,26)(H,21,23,24).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)quinazoline-8-carboxamide?
2-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)quinazoline-8-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)quinazoline-8-carboxamide is sourced from PubChem (CID 58082154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).