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

C18H28N4O — CID 45196307

IUPAC[1-[5-(cyclobutylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ncc3c(n2)CCCC3NC2CCC2)CC1
InChIInChI=1S/C18H28N4O/c23-12-13-7-9-22(10-8-13)18-19-11-15-16(20-14-3-1-4-14)5-2-6-17(15)21-18/h11,13-14,16,20,23H,1-10,12H2
InChIKeyXWXRZDAHFDOWHN-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.20
Rot. Bonds4

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

[1-[5-(cyclobutylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol (PubChem CID 45196307) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is [1-[5-(cyclobutylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-(cyclobutylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
PubChem CID45196307
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name[1-[5-(cyclobutylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ncc3c(n2)CCCC3NC2CCC2)CC1
InChIInChI=1S/C18H28N4O/c23-12-13-7-9-22(10-8-13)18-19-11-15-16(20-14-3-1-4-14)5-2-6-17(15)21-18/h11,13-14,16,20,23H,1-10,12H2
InChIKeyXWXRZDAHFDOWHN-UHFFFAOYSA-N
XLogP2.20
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
N-(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclopentanecarboxamide
CID 110237962
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
2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine
CID 62008674

Frequently Asked Questions

What is the IUPAC name of [1-[5-(cyclobutylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-(cyclobutylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol (CID 45196307) is [1-[5-(cyclobutylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-(cyclobutylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-(cyclobutylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2ncc3c(n2)CCCC3NC2CCC2)CC1.
What is the InChIKey of [1-[5-(cyclobutylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The InChIKey is XWXRZDAHFDOWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c23-12-13-7-9-22(10-8-13)18-19-11-15-16(20-14-3-1-4-14)5-2-6-17(15)21-18/h11,13-14,16,20,23H,1-10,12H2.
What are the key properties of [1-[5-(cyclobutylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
[1-[5-(cyclobutylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol has a molecular weight of 316.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(cyclobutylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 45196307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).