4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol

C15H19N3O — CID 106130913

IUPAC4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCC(CNc2ncnc3ccccc23)CC1
InChIInChI=1S/C15H19N3O/c19-12-7-5-11(6-8-12)9-16-15-13-3-1-2-4-14(13)17-10-18-15/h1-4,10-12,19H,5-9H2,(H,16,17,18)
InChIKeyMQIDJAAVSRBFAM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.59
Rot. Bonds3

About 4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol

4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol (PubChem CID 106130913) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol
PubChem CID106130913
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCC(CNc2ncnc3ccccc23)CC1
InChIInChI=1S/C15H19N3O/c19-12-7-5-11(6-8-12)9-16-15-13-3-1-2-4-14(13)17-10-18-15/h1-4,10-12,19H,5-9H2,(H,16,17,18)
InChIKeyMQIDJAAVSRBFAM-UHFFFAOYSA-N
XLogP2.59
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106120256
N-(cyclopropylmethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 171704170
N-[(2-aminocyclohexyl)methyl]quinazolin-4-amine
CID 64928662
N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436172
4-[[(3-methylquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106130104
N-(2-bromoprop-2-enyl)quinazolin-4-amine
CID 115594968
N-[[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine
CID 95764257
N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine
CID 95764258
(2S)-2-[(quinazolin-4-ylamino)methyl]piperidine-1-carboxylic acid
CID 67089806
4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148469
4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol
CID 106120233
N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine
CID 115599555

Frequently Asked Questions

What is the IUPAC name of 4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol (CID 106130913) is 4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol is OC1CCC(CNc2ncnc3ccccc23)CC1.
What is the InChIKey of 4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is MQIDJAAVSRBFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-12-7-5-11(6-8-12)9-16-15-13-3-1-2-4-14(13)17-10-18-15/h1-4,10-12,19H,5-9H2,(H,16,17,18).
What are the key properties of 4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol?
4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 257.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106130913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).