1-[5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol

C22H34N6O — CID 45194274

IUPAC1-[5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
SMILESCCn1cc(CNC2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)c(C)n1
InChIInChI=1S/C22H34N6O/c1-5-28-14-16(15(2)26-28)12-23-19-10-22(3,4)11-20-18(19)13-24-21(25-20)27-8-6-17(29)7-9-27/h13-14,17,19,23,29H,5-12H2,1-4H3
InChIKeyYNXQMFOMGUMPJM-UHFFFAOYSA-N
MW398.56 g/mol
LogP2.77
Rot. Bonds5

About 1-[5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol

1-[5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol (PubChem CID 45194274) has the molecular formula C22H34N6O and a molecular weight of 398.56 g/mol. Its IUPAC name is 1-[5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
PubChem CID45194274
Molecular FormulaC22H34N6O
Molecular Weight398.56 g/mol
Exact Mass398.28
IUPAC Name1-[5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
SMILESCCn1cc(CNC2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)c(C)n1
InChIInChI=1S/C22H34N6O/c1-5-28-14-16(15(2)26-28)12-23-19-10-22(3,4)11-20-18(19)13-24-21(25-20)27-8-6-17(29)7-9-27/h13-14,17,19,23,29H,5-12H2,1-4H3
InChIKeyYNXQMFOMGUMPJM-UHFFFAOYSA-N
XLogP2.77
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.56
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5S)-5-[(6-cyclopropylpyrimidin-4-yl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
CID 97138939
1-[(5S)-5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
CID 97143924
1-[5-(Cyclohexylamino)-7,7-dimethyl-5,6,7,8-tetrahydro-2-quinazolinyl]-4-piperidinol
CID 45171938
N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-7,7-dimethyl-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinamine
CID 45181809
1-[7,7-dimethyl-5-(tetrahydro-2H-thiopyran-4-ylamino)-5,6,7,8-tetrahydro-2-quinazolinyl]-4-piperidinol
CID 45185053
N-[2-(4-hydroxy-1-piperidinyl)-7,7-dimethyl-5,6,7,8-tetrahydro-5-quinazolinyl]-3-butenamide
CID 45194812
7,7-dimethyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine
CID 45195628
1-[5-(Isopropylamino)-7,7-dimethyl-5,6,7,8-tetrahydro-2-quinazolinyl]-4-piperidinol
CID 45211407
[1-(5-{[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}-5,6,7,8-tetrahydro-2-quinazolinyl)-4-piperidinyl]methanol
CID 45216602
[1-(5-{[(1-ethyl-1H-pyrazol-4-yl)methyl]amino}-5,6,7,8-tetrahydro-2-quinazolinyl)-4-piperidinyl]methanol
CID 45219519
1-(5-{[(1,2-dimethyl-1H-imidazol-5-yl)methyl]amino}-7,7-dimethyl-5,6,7,8-tetrahydro-2-quinazolinyl)-4-piperidinol
CID 45221408
1-[7,7-dimethyl-5-[[(E)-2-methylbut-2-enyl]amino]-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
CID 45224307

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol (CID 45194274) is 1-[5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol is CCn1cc(CNC2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)c(C)n1.
What is the InChIKey of 1-[5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
The InChIKey is YNXQMFOMGUMPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O/c1-5-28-14-16(15(2)26-28)12-23-19-10-22(3,4)11-20-18(19)13-24-21(25-20)27-8-6-17(29)7-9-27/h13-14,17,19,23,29H,5-12H2,1-4H3.
What are the key properties of 1-[5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
1-[5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol has a molecular weight of 398.56 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol is sourced from PubChem (CID 45194274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).