2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide

C15H18ClN3O — CID 116783987

IUPAC2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H18ClN3O/c1-9(2)18-15(20)10(3)19-13-7-6-12(16)11-5-4-8-17-14(11)13/h4-10,19H,1-3H3,(H,18,20)
InChIKeyBBMIQMZMZFYECD-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.21
Rot. Bonds4

About 2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide

2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide (PubChem CID 116783987) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide
PubChem CID116783987
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H18ClN3O/c1-9(2)18-15(20)10(3)19-13-7-6-12(16)11-5-4-8-17-14(11)13/h4-10,19H,1-3H3,(H,18,20)
InChIKeyBBMIQMZMZFYECD-UHFFFAOYSA-N
XLogP3.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloroquinolin-8-yl)amino]propanoic acid
CID 66172326
1-(5-chloroquinolin-8-yl)-3-propan-2-ylthiourea
CID 115577732
N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide
CID 116783982
2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide
CID 60928670
(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide
CID 116785317
5-chloro-N-(1-pyridin-3-ylethyl)quinolin-8-amine
CID 60927982
5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine
CID 54862255
1-(5-chloroquinolin-8-yl)-3-cyclopentylurea
CID 47201915
2-[(5-chloroquinolin-8-yl)methylsulfanyl]-N-propan-2-ylacetamide
CID 75416683
2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide
CID 43084871
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
2-bromo-N-(8-chloroquinolin-5-yl)propanamide
CID 107903962

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide (CID 116783987) is 2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Nc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide?
The InChIKey is BBMIQMZMZFYECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-9(2)18-15(20)10(3)19-13-7-6-12(16)11-5-4-8-17-14(11)13/h4-10,19H,1-3H3,(H,18,20).
What are the key properties of 2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide?
2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide has a molecular weight of 291.78 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 116783987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).