4-(quinolin-2-ylamino)cyclohexan-1-ol

C15H18N2O — CID 29038318

IUPAC4-(quinolin-2-ylamino)cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3ccccc3n2)CC1
InChIInChI=1S/C15H18N2O/c18-13-8-6-12(7-9-13)16-15-10-5-11-3-1-2-4-14(11)17-15/h1-5,10,12-13,18H,6-9H2,(H,16,17)
InChIKeyJVVCXNYTDCBCAV-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.95
Rot. Bonds2

About 4-(quinolin-2-ylamino)cyclohexan-1-ol

4-(quinolin-2-ylamino)cyclohexan-1-ol (PubChem CID 29038318) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(quinolin-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(quinolin-2-ylamino)cyclohexan-1-ol
PubChem CID29038318
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-(quinolin-2-ylamino)cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3ccccc3n2)CC1
InChIInChI=1S/C15H18N2O/c18-13-8-6-12(7-9-13)16-15-10-5-11-3-1-2-4-14(11)17-15/h1-5,10,12-13,18H,6-9H2,(H,16,17)
InChIKeyJVVCXNYTDCBCAV-UHFFFAOYSA-N
XLogP2.95
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-2-ylamino)cyclohexan-1-ol?
The IUPAC name of 4-(quinolin-2-ylamino)cyclohexan-1-ol (CID 29038318) is 4-(quinolin-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(quinolin-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(quinolin-2-ylamino)cyclohexan-1-ol is OC1CCC(Nc2ccc3ccccc3n2)CC1.
What is the InChIKey of 4-(quinolin-2-ylamino)cyclohexan-1-ol?
The InChIKey is JVVCXNYTDCBCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-13-8-6-12(7-9-13)16-15-10-5-11-3-1-2-4-14(11)17-15/h1-5,10,12-13,18H,6-9H2,(H,16,17).
What are the key properties of 4-(quinolin-2-ylamino)cyclohexan-1-ol?
4-(quinolin-2-ylamino)cyclohexan-1-ol has a molecular weight of 242.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 29038318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).