2-(cyclohexylamino)-N-(oxolan-3-yl)quinazoline-8-carboxamide

C19H24N4O2 — CID 71159589

IUPAC2-(cyclohexylamino)-N-(oxolan-3-yl)quinazoline-8-carboxamide
SMILESO=C(NC1CCOC1)c1cccc2cnc(NC3CCCCC3)nc12
InChIInChI=1S/C19H24N4O2/c24-18(21-15-9-10-25-12-15)16-8-4-5-13-11-20-19(23-17(13)16)22-14-6-2-1-3-7-14/h4-5,8,11,14-15H,1-3,6-7,9-10,12H2,(H,21,24)(H,20,22,23)
InChIKeyCBLHQCDYBCQKLF-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.89
Rot. Bonds4

About 2-(cyclohexylamino)-N-(oxolan-3-yl)quinazoline-8-carboxamide

2-(cyclohexylamino)-N-(oxolan-3-yl)quinazoline-8-carboxamide (PubChem CID 71159589) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-(oxolan-3-yl)quinazoline-8-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-(oxolan-3-yl)quinazoline-8-carboxamide
PubChem CID71159589
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-(cyclohexylamino)-N-(oxolan-3-yl)quinazoline-8-carboxamide
SMILESO=C(NC1CCOC1)c1cccc2cnc(NC3CCCCC3)nc12
InChIInChI=1S/C19H24N4O2/c24-18(21-15-9-10-25-12-15)16-8-4-5-13-11-20-19(23-17(13)16)22-14-6-2-1-3-7-14/h4-5,8,11,14-15H,1-3,6-7,9-10,12H2,(H,21,24)(H,20,22,23)
InChIKeyCBLHQCDYBCQKLF-UHFFFAOYSA-N
XLogP2.89
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
N-(2-hydroxycyclopentyl)-2-[[4-[methyl(methylsulfonyl)amino]cyclohexyl]amino]quinazoline-8-carboxamide
CID 67337132
2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 103839457
2-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 70955221
2-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 70845923
4-cyclobutyl-2-(oxolan-3-ylamino)pyrimidine-5-carboxylic acid
CID 67087192
2-[(4-hydroxycyclohexyl)amino]-N-[(2S)-2-hydroxy-2-phenylethyl]quinazoline-8-carboxamide
CID 58082372
3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide
CID 82829580
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
N-(oxan-4-yl)quinazolin-2-amine
CID 114788886

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-(oxolan-3-yl)quinazoline-8-carboxamide?
The IUPAC name of 2-(cyclohexylamino)-N-(oxolan-3-yl)quinazoline-8-carboxamide (CID 71159589) is 2-(cyclohexylamino)-N-(oxolan-3-yl)quinazoline-8-carboxamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-(oxolan-3-yl)quinazoline-8-carboxamide?
The canonical SMILES for 2-(cyclohexylamino)-N-(oxolan-3-yl)quinazoline-8-carboxamide is O=C(NC1CCOC1)c1cccc2cnc(NC3CCCCC3)nc12.
What is the InChIKey of 2-(cyclohexylamino)-N-(oxolan-3-yl)quinazoline-8-carboxamide?
The InChIKey is CBLHQCDYBCQKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18(21-15-9-10-25-12-15)16-8-4-5-13-11-20-19(23-17(13)16)22-14-6-2-1-3-7-14/h4-5,8,11,14-15H,1-3,6-7,9-10,12H2,(H,21,24)(H,20,22,23).
What are the key properties of 2-(cyclohexylamino)-N-(oxolan-3-yl)quinazoline-8-carboxamide?
2-(cyclohexylamino)-N-(oxolan-3-yl)quinazoline-8-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-(oxolan-3-yl)quinazoline-8-carboxamide is sourced from PubChem (CID 71159589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).