N-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide

C15H18ClN3O — CID 62837224

IUPACN-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1ccc(Cl)c2ncccc12
InChIInChI=1S/C15H18ClN3O/c1-3-17-10(2)9-14(20)19-13-7-6-12(16)15-11(13)5-4-8-18-15/h4-8,10,17H,3,9H2,1-2H3,(H,19,20)
InChIKeyZHDUJMKBFUKSGT-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.21
Rot. Bonds5

About N-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide

N-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide (PubChem CID 62837224) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide
PubChem CID62837224
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1ccc(Cl)c2ncccc12
InChIInChI=1S/C15H18ClN3O/c1-3-17-10(2)9-14(20)19-13-7-6-12(16)15-11(13)5-4-8-18-15/h4-8,10,17H,3,9H2,1-2H3,(H,19,20)
InChIKeyZHDUJMKBFUKSGT-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

3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide
CID 62837223
N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide
CID 55121574
2-bromo-N-(8-chloroquinolin-5-yl)propanamide
CID 107903962
6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid
CID 60941268
2-(azetidin-3-yl)-N-(8-chloroquinolin-5-yl)acetamide
CID 64617391
N-(3-chloro-2-methylphenyl)-3-(ethylamino)butanamide
CID 60663281
N-(8-methoxyquinolin-5-yl)-3-methylbutanamide
CID 26823099
3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide
CID 106111764
3-(8-chloroquinolin-5-yl)-1-[2-(diethylamino)ethyl]-1-ethylurea
CID 118763585
2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide
CID 81172078
N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide
CID 62837174
N-(8-methylquinolin-5-yl)-2-propan-2-yloxyacetamide
CID 47418219

Frequently Asked Questions

What is the IUPAC name of N-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide?
The IUPAC name of N-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide (CID 62837224) is N-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide.
What is the SMILES notation for N-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide?
The canonical SMILES for N-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide is CCNC(C)CC(=O)Nc1ccc(Cl)c2ncccc12.
What is the InChIKey of N-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide?
The InChIKey is ZHDUJMKBFUKSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-17-10(2)9-14(20)19-13-7-6-12(16)15-11(13)5-4-8-18-15/h4-8,10,17H,3,9H2,1-2H3,(H,19,20).
What are the key properties of N-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide?
N-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide 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-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide is sourced from PubChem (CID 62837224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).