2-[(4-hydroxycyclohexyl)amino]-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide

C20H26N4O3 — CID 58082640

IUPAC2-[(4-hydroxycyclohexyl)amino]-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc2cnc(NC3CCC(O)CC3)nc2c1
InChIInChI=1S/C20H26N4O3/c25-16-7-5-15(6-8-16)23-20-22-11-14-4-3-13(10-18(14)24-20)19(26)21-12-17-2-1-9-27-17/h3-4,10-11,15-17,25H,1-2,5-9,12H2,(H,21,26)(H,22,23,24)
InChIKeyPFEQKXWDYGLVLU-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.25
Rot. Bonds5

About 2-[(4-hydroxycyclohexyl)amino]-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide

2-[(4-hydroxycyclohexyl)amino]-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide (PubChem CID 58082640) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide
PubChem CID58082640
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc2cnc(NC3CCC(O)CC3)nc2c1
InChIInChI=1S/C20H26N4O3/c25-16-7-5-15(6-8-16)23-20-22-11-14-4-3-13(10-18(14)24-20)19(26)21-12-17-2-1-9-27-17/h3-4,10-11,15-17,25H,1-2,5-9,12H2,(H,21,26)(H,22,23,24)
InChIKeyPFEQKXWDYGLVLU-UHFFFAOYSA-N
XLogP2.25
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
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-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide
CID 58082159
2-[(4-hydroxycyclohexyl)amino]-N-(3-pyrazol-1-ylpropyl)quinazoline-7-carboxamide
CID 58082427
2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide
CID 58082242
N-(oxolan-2-ylmethyl)-1H-indole-5-carboxamide
CID 63717299
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-1,3-benzoxazole-5-carboxamide
CID 100786908
4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7923143
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide
CID 133167285
2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide
CID 58082418
N-[[(2R)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 126433758
3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109050678
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide (CID 58082640) is 2-[(4-hydroxycyclohexyl)amino]-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide is O=C(NCC1CCCO1)c1ccc2cnc(NC3CCC(O)CC3)nc2c1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide?
The InChIKey is PFEQKXWDYGLVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-16-7-5-15(6-8-16)23-20-22-11-14-4-3-13(10-18(14)24-20)19(26)21-12-17-2-1-9-27-17/h3-4,10-11,15-17,25H,1-2,5-9,12H2,(H,21,26)(H,22,23,24).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide?
2-[(4-hydroxycyclohexyl)amino]-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.25, 5 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-(oxolan-2-ylmethyl)quinazoline-7-carboxamide is sourced from PubChem (CID 58082640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).