[1-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol

C22H37N5O — CID 45192726

IUPAC[1-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
SMILESCC(C)N1CCC(NC2CCCc3nc(N4CCC(CO)CC4)ncc32)CC1
InChIInChI=1S/C22H37N5O/c1-16(2)26-12-8-18(9-13-26)24-20-4-3-5-21-19(20)14-23-22(25-21)27-10-6-17(15-28)7-11-27/h14,16-18,20,24,28H,3-13,15H2,1-2H3
InChIKeyLWBBJVHFZOAUCH-UHFFFAOYSA-N
MW387.57 g/mol
LogP2.53
Rot. Bonds5

About [1-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol

[1-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol (PubChem CID 45192726) has the molecular formula C22H37N5O and a molecular weight of 387.57 g/mol. Its IUPAC name is [1-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
PubChem CID45192726
Molecular FormulaC22H37N5O
Molecular Weight387.57 g/mol
Exact Mass387.30
IUPAC Name[1-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
SMILESCC(C)N1CCC(NC2CCCc3nc(N4CCC(CO)CC4)ncc32)CC1
InChIInChI=1S/C22H37N5O/c1-16(2)26-12-8-18(9-13-26)24-20-4-3-5-21-19(20)14-23-22(25-21)27-10-6-17(15-28)7-11-27/h14,16-18,20,24,28H,3-13,15H2,1-2H3
InChIKeyLWBBJVHFZOAUCH-UHFFFAOYSA-N
XLogP2.53
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol with MolForge

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Related Compounds

2-methyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
CID 110237938
2-ethyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide
CID 110237945
2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-9-ol
CID 14552480
[1-[(5S)-5-(cyclooctylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
CID 25283348
(5S)-5-N-cyclopentyl-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine
CID 25379082
(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
4,4,4-trifluoro-N-{2-[4-(hydroxymethyl)-1-piperidinyl]-5,6,7,8-tetrahydro-5-quinazolinyl}butanamide
CID 45220295
(1-{5-[(3-Fluorobenzyl)amino]-5,6,7,8-tetrahydro-2-quinazolinyl}-4-piperidinyl)methanol
CID 45231851
[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-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol (CID 45192726) is [1-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol is CC(C)N1CCC(NC2CCCc3nc(N4CCC(CO)CC4)ncc32)CC1.
What is the InChIKey of [1-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The InChIKey is LWBBJVHFZOAUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O/c1-16(2)26-12-8-18(9-13-26)24-20-4-3-5-21-19(20)14-23-22(25-21)27-10-6-17(15-28)7-11-27/h14,16-18,20,24,28H,3-13,15H2,1-2H3.
What are the key properties of [1-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
[1-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol has a molecular weight of 387.57 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 45192726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).