N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide

C15H18ClN3O — CID 116783982

IUPACN-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide
SMILESCCC(C)NC(=O)CNc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H18ClN3O/c1-3-10(2)19-14(20)9-18-13-7-6-12(16)11-5-4-8-17-15(11)13/h4-8,10,18H,3,9H2,1-2H3,(H,19,20)
InChIKeyIQDVQCVYCASWAZ-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.21
Rot. Bonds5

About N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide

N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide (PubChem CID 116783982) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide
PubChem CID116783982
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide
SMILESCCC(C)NC(=O)CNc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H18ClN3O/c1-3-10(2)19-14(20)9-18-13-7-6-12(16)11-5-4-8-17-15(11)13/h4-8,10,18H,3,9H2,1-2H3,(H,19,20)
InChIKeyIQDVQCVYCASWAZ-UHFFFAOYSA-N
XLogP3.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 47104754
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
2-[(5-chloroquinolin-8-yl)amino]-N-cyclopropylacetamide
CID 116784065
butyl 2-[(5-chloroquinolin-8-yl)amino]acetate
CID 116783881
2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone
CID 116783960
2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide
CID 60928670
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
2-[(5-chloroquinolin-8-yl)amino]propanoic acid
CID 66172326
2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide
CID 116783987
5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine
CID 116783967
1-(5-chloroquinolin-8-yl)-3-propan-2-ylthiourea
CID 115577732
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide?
The IUPAC name of N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide (CID 116783982) is N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide is CCC(C)NC(=O)CNc1ccc(Cl)c2cccnc12.
What is the InChIKey of N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide?
The InChIKey is IQDVQCVYCASWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-10(2)19-14(20)9-18-13-7-6-12(16)11-5-4-8-17-15(11)13/h4-8,10,18H,3,9H2,1-2H3,(H,19,20).
What are the key properties of N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide?
N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide has a molecular weight of 291.78 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide is sourced from PubChem (CID 116783982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).