1-[5-(cyclohexylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol

C21H34N4O — CID 45171938

IUPAC1-[5-(cyclohexylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
SMILESCC1(C)Cc2nc(N3CCC(O)CC3)ncc2C(NC2CCCCC2)C1
InChIInChI=1S/C21H34N4O/c1-21(2)12-18(23-15-6-4-3-5-7-15)17-14-22-20(24-19(17)13-21)25-10-8-16(26)9-11-25/h14-16,18,23,26H,3-13H2,1-2H3
InChIKeyOCFZCMVABPEVNX-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.37
Rot. Bonds3

About 1-[5-(cyclohexylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol

1-[5-(cyclohexylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol (PubChem CID 45171938) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-[5-(cyclohexylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-(cyclohexylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
PubChem CID45171938
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name1-[5-(cyclohexylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
SMILESCC1(C)Cc2nc(N3CCC(O)CC3)ncc2C(NC2CCCCC2)C1
InChIInChI=1S/C21H34N4O/c1-21(2)12-18(23-15-6-4-3-5-7-15)17-14-22-20(24-19(17)13-21)25-10-8-16(26)9-11-25/h14-16,18,23,26H,3-13H2,1-2H3
InChIKeyOCFZCMVABPEVNX-UHFFFAOYSA-N
XLogP3.37
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-(cyclohexylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol with MolForge

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Related Compounds

2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-9-ol
CID 14552480
N-(tert-butyl)-N'-[7,7-dimethyl-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinyl]urea
CID 45212697
[1-[(5S)-5-(cyclooctylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
CID 25283348
(5S)-2-N,2-N-dimethyl-5-N-(oxan-4-yl)-5,6,7,8-tetrahydroquinazoline-2,5-diamine
CID 25446996
[1-[(5S)-5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
CID 25479898
(5S)-N-cyclobutyl-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine
CID 42154866
1-[(5S)-7,7-dimethyl-5-(pyridin-3-ylmethylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
CID 42291221
1-{5-[(3-Fluorobenzyl)amino]-7,7-dimethyl-5,6,7,8-tetrahydro-2-quinazolinyl}-4-piperidinol
CID 45230764
N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(1-methylpiperidin-4-yl)acetamide
CID 51903676
[1-(5-Amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-yl]methanol
CID 70778972
(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine
CID 94133507
2-N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 97123918

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclohexylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[5-(cyclohexylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol (CID 45171938) is 1-[5-(cyclohexylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[5-(cyclohexylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[5-(cyclohexylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol is CC1(C)Cc2nc(N3CCC(O)CC3)ncc2C(NC2CCCCC2)C1.
What is the InChIKey of 1-[5-(cyclohexylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
The InChIKey is OCFZCMVABPEVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-21(2)12-18(23-15-6-4-3-5-7-15)17-14-22-20(24-19(17)13-21)25-10-8-16(26)9-11-25/h14-16,18,23,26H,3-13H2,1-2H3.
What are the key properties of 1-[5-(cyclohexylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
1-[5-(cyclohexylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol has a molecular weight of 358.53 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclohexylamino)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol is sourced from PubChem (CID 45171938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).