2-amino-N-(6-chloroquinolin-8-yl)pentanamide

C14H16ClN3O — CID 43698605

IUPAC2-amino-N-(6-chloroquinolin-8-yl)pentanamide
SMILESCCCC(N)C(=O)Nc1cc(Cl)cc2cccnc12
InChIInChI=1S/C14H16ClN3O/c1-2-4-11(16)14(19)18-12-8-10(15)7-9-5-3-6-17-13(9)12/h3,5-8,11H,2,4,16H2,1H3,(H,18,19)
InChIKeyBFIIYOAODBBNST-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.95
Rot. Bonds4

About 2-amino-N-(6-chloroquinolin-8-yl)pentanamide

2-amino-N-(6-chloroquinolin-8-yl)pentanamide (PubChem CID 43698605) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-amino-N-(6-chloroquinolin-8-yl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(6-chloroquinolin-8-yl)pentanamide
PubChem CID43698605
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name2-amino-N-(6-chloroquinolin-8-yl)pentanamide
SMILESCCCC(N)C(=O)Nc1cc(Cl)cc2cccnc12
InChIInChI=1S/C14H16ClN3O/c1-2-4-11(16)14(19)18-12-8-10(15)7-9-5-3-6-17-13(9)12/h3,5-8,11H,2,4,16H2,1H3,(H,18,19)
InChIKeyBFIIYOAODBBNST-UHFFFAOYSA-N
XLogP2.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(6-chloroquinolin-8-yl)-3-methoxypropanamide
CID 81082757
(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
2-chloro-N-(6-chloroquinolin-8-yl)propanamide
CID 43696479
2-[(6-chloroquinolin-8-yl)amino]butanoic acid
CID 113292361
(2R)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]pentanamide
CID 107568545
3-amino-N-(6-chloroquinolin-8-yl)pyridine-2-carboxamide
CID 104741160
(2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide
CID 107570250
(2S)-2-amino-N-(3-hydroxy-2-pyridinyl)pentanamide
CID 107570512
N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 79286732
N-(6-chloroquinolin-8-yl)-5-hydroxypentanamide
CID 79199292
(2R)-2-amino-N-(3-methyl-2-pyridinyl)pentanamide
CID 107568105
3-amino-N-(6-chloroquinolin-8-yl)benzamide
CID 43698580

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-chloroquinolin-8-yl)pentanamide?
The IUPAC name of 2-amino-N-(6-chloroquinolin-8-yl)pentanamide (CID 43698605) is 2-amino-N-(6-chloroquinolin-8-yl)pentanamide.
What is the SMILES notation for 2-amino-N-(6-chloroquinolin-8-yl)pentanamide?
The canonical SMILES for 2-amino-N-(6-chloroquinolin-8-yl)pentanamide is CCCC(N)C(=O)Nc1cc(Cl)cc2cccnc12.
What is the InChIKey of 2-amino-N-(6-chloroquinolin-8-yl)pentanamide?
The InChIKey is BFIIYOAODBBNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-2-4-11(16)14(19)18-12-8-10(15)7-9-5-3-6-17-13(9)12/h3,5-8,11H,2,4,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(6-chloroquinolin-8-yl)pentanamide?
2-amino-N-(6-chloroquinolin-8-yl)pentanamide has a molecular weight of 277.75 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-chloroquinolin-8-yl)pentanamide is sourced from PubChem (CID 43698605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).