(1-aminocyclohexyl)-quinolin-5-ylmethanone

C16H18N2O — CID 116550567

IUPAC(1-aminocyclohexyl)-quinolin-5-ylmethanone
SMILESNC1(C(=O)c2cccc3ncccc23)CCCCC1
InChIInChI=1S/C16H18N2O/c17-16(9-2-1-3-10-16)15(19)13-6-4-8-14-12(13)7-5-11-18-14/h4-8,11H,1-3,9-10,17H2
InChIKeyDKRGMGYZZUNFSU-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.08
Rot. Bonds2

About (1-aminocyclohexyl)-quinolin-5-ylmethanone

(1-aminocyclohexyl)-quinolin-5-ylmethanone (PubChem CID 116550567) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (1-aminocyclohexyl)-quinolin-5-ylmethanone.

Molecular Properties

Compound Name(1-aminocyclohexyl)-quinolin-5-ylmethanone
PubChem CID116550567
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(1-aminocyclohexyl)-quinolin-5-ylmethanone
SMILESNC1(C(=O)c2cccc3ncccc23)CCCCC1
InChIInChI=1S/C16H18N2O/c17-16(9-2-1-3-10-16)15(19)13-6-4-8-14-12(13)7-5-11-18-14/h4-8,11H,1-3,9-10,17H2
InChIKeyDKRGMGYZZUNFSU-UHFFFAOYSA-N
XLogP3.08
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-phenylcyclopropyl)-quinolin-5-ylmethanone
CID 81197158
(1-aminocyclobutyl)-(2-amino-3-pyridinyl)methanone
CID 116598621
(1-aminocyclopentyl)-quinolin-7-ylmethanone
CID 116558749
(1-aminocyclopentyl)-(2,3-difluorophenyl)methanone
CID 116558705
N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide
CID 115668807
(1-aminocyclopentyl)-pyridin-2-ylmethanone
CID 82281287
2,2-dimethyl-1-quinolin-5-ylpropan-1-one
CID 81220250
2,2,2-trifluoro-1-quinolin-5-ylethanone
CID 81220183
(1-aminocyclopropyl)-isoquinolin-5-ylmethanone
CID 116576743
(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone
CID 81220476
(1-aminocyclopentyl)-(2-bromophenyl)methanone
CID 82305027
N-(4-hydroxyphenyl)quinoline-5-carboxamide
CID 62069694

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-quinolin-5-ylmethanone?
The IUPAC name of (1-aminocyclohexyl)-quinolin-5-ylmethanone (CID 116550567) is (1-aminocyclohexyl)-quinolin-5-ylmethanone.
What is the SMILES notation for (1-aminocyclohexyl)-quinolin-5-ylmethanone?
The canonical SMILES for (1-aminocyclohexyl)-quinolin-5-ylmethanone is NC1(C(=O)c2cccc3ncccc23)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-quinolin-5-ylmethanone?
The InChIKey is DKRGMGYZZUNFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-16(9-2-1-3-10-16)15(19)13-6-4-8-14-12(13)7-5-11-18-14/h4-8,11H,1-3,9-10,17H2.
What are the key properties of (1-aminocyclohexyl)-quinolin-5-ylmethanone?
(1-aminocyclohexyl)-quinolin-5-ylmethanone has a molecular weight of 254.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-quinolin-5-ylmethanone is sourced from PubChem (CID 116550567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).