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

C21H32N6O — CID 45221408

IUPAC1-[5-[(2,3-dimethylimidazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
SMILESCc1ncc(CNC2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)n1C
InChIInChI=1S/C21H32N6O/c1-14-22-11-15(26(14)4)12-23-18-9-21(2,3)10-19-17(18)13-24-20(25-19)27-7-5-16(28)6-8-27/h11,13,16,18,23,28H,5-10,12H2,1-4H3
InChIKeyRAWUPLBRXCDPMK-UHFFFAOYSA-N
MW384.53 g/mol
LogP2.28
Rot. Bonds4

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

1-[5-[(2,3-dimethylimidazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol (PubChem CID 45221408) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is 1-[5-[(2,3-dimethylimidazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-[(2,3-dimethylimidazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
PubChem CID45221408
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name1-[5-[(2,3-dimethylimidazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
SMILESCc1ncc(CNC2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)n1C
InChIInChI=1S/C21H32N6O/c1-14-22-11-15(26(14)4)12-23-18-9-21(2,3)10-19-17(18)13-24-20(25-19)27-7-5-16(28)6-8-27/h11,13,16,18,23,28H,5-10,12H2,1-4H3
InChIKeyRAWUPLBRXCDPMK-UHFFFAOYSA-N
XLogP2.28
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

(5S)-2-tert-butyl-7,7-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine
CID 42519495
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
1-[7,7-dimethyl-5-(tetrahydro-2H-thiopyran-4-ylamino)-5,6,7,8-tetrahydro-2-quinazolinyl]-4-piperidinol
CID 45185053
1-(5-{[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]amino}-7,7-dimethyl-5,6,7,8-tetrahydro-2-quinazolinyl)-4-piperidinol
CID 45194274
7,7-dimethyl-2-(4-morpholinyl)-N-[(3,5,6-trimethyl-2-pyrazinyl)methyl]-5,6,7,8-tetrahydro-5-quinazolinamine
CID 45195418
N-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-7,7-dimethyl-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinamine
CID 45195822
2-tert-butyl-7,7-dimethyl-N-[(3,5,6-trimethyl-2-pyrazinyl)methyl]-5,6,7,8-tetrahydro-5-quinazolinamine
CID 45202136
1-[5-(Isopropylamino)-7,7-dimethyl-5,6,7,8-tetrahydro-2-quinazolinyl]-4-piperidinol
CID 45211407
1-[7,7-dimethyl-5-[[(E)-2-methylbut-2-enyl]amino]-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
CID 45224307
1-[5-[(2-ethylpyrimidin-5-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
CID 45224910

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2,3-dimethylimidazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[5-[(2,3-dimethylimidazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol (CID 45221408) is 1-[5-[(2,3-dimethylimidazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[5-[(2,3-dimethylimidazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[5-[(2,3-dimethylimidazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol is Cc1ncc(CNC2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)n1C.
What is the InChIKey of 1-[5-[(2,3-dimethylimidazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
The InChIKey is RAWUPLBRXCDPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-14-22-11-15(26(14)4)12-23-18-9-21(2,3)10-19-17(18)13-24-20(25-19)27-7-5-16(28)6-8-27/h11,13,16,18,23,28H,5-10,12H2,1-4H3.
What are the key properties of 1-[5-[(2,3-dimethylimidazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
1-[5-[(2,3-dimethylimidazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol has a molecular weight of 384.53 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2,3-dimethylimidazol-4-yl)methylamino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol is sourced from PubChem (CID 45221408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).