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

C20H32N4O — CID 45224307

IUPAC1-[7,7-dimethyl-5-[[(E)-2-methylbut-2-enyl]amino]-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
SMILESC/C=C(\C)CNC1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21
InChIInChI=1S/C20H32N4O/c1-5-14(2)12-21-17-10-20(3,4)11-18-16(17)13-22-19(23-18)24-8-6-15(25)7-9-24/h5,13,15,17,21,25H,6-12H2,1-4H3/b14-5+
InChIKeyNTLXWIRSBSMSGZ-LHHJGKSTSA-N
MW344.50 g/mol
LogP3.01
Rot. Bonds4

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

1-[7,7-dimethyl-5-[[(E)-2-methylbut-2-enyl]amino]-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol (PubChem CID 45224307) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-[7,7-dimethyl-5-[[(E)-2-methylbut-2-enyl]amino]-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[7,7-dimethyl-5-[[(E)-2-methylbut-2-enyl]amino]-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
PubChem CID45224307
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name1-[7,7-dimethyl-5-[[(E)-2-methylbut-2-enyl]amino]-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
SMILESC/C=C(\C)CNC1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21
InChIInChI=1S/C20H32N4O/c1-5-14(2)12-21-17-10-20(3,4)11-18-16(17)13-22-19(23-18)24-8-6-15(25)7-9-24/h5,13,15,17,21,25H,6-12H2,1-4H3/b14-5+
InChIKeyNTLXWIRSBSMSGZ-LHHJGKSTSA-N
XLogP3.01
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

N-(2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydro-5-quinazolinyl)-4-(dimethylamino)butanamide
CID 45245336
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

Frequently Asked Questions

What is the IUPAC name of 1-[7,7-dimethyl-5-[[(E)-2-methylbut-2-enyl]amino]-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[7,7-dimethyl-5-[[(E)-2-methylbut-2-enyl]amino]-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol (CID 45224307) is 1-[7,7-dimethyl-5-[[(E)-2-methylbut-2-enyl]amino]-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[7,7-dimethyl-5-[[(E)-2-methylbut-2-enyl]amino]-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[7,7-dimethyl-5-[[(E)-2-methylbut-2-enyl]amino]-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol is C/C=C(\C)CNC1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21.
What is the InChIKey of 1-[7,7-dimethyl-5-[[(E)-2-methylbut-2-enyl]amino]-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
The InChIKey is NTLXWIRSBSMSGZ-LHHJGKSTSA-N. The full InChI is InChI=1S/C20H32N4O/c1-5-14(2)12-21-17-10-20(3,4)11-18-16(17)13-22-19(23-18)24-8-6-15(25)7-9-24/h5,13,15,17,21,25H,6-12H2,1-4H3/b14-5+.
What are the key properties of 1-[7,7-dimethyl-5-[[(E)-2-methylbut-2-enyl]amino]-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
1-[7,7-dimethyl-5-[[(E)-2-methylbut-2-enyl]amino]-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol has a molecular weight of 344.50 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7,7-dimethyl-5-[[(E)-2-methylbut-2-enyl]amino]-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol is sourced from PubChem (CID 45224307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).