4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide

C16H18ClN3O — CID 112730857

IUPAC4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide
SMILESO=C(CCCNc1ccnc2cc(Cl)ccc12)NC1CC1
InChIInChI=1S/C16H18ClN3O/c17-11-3-6-13-14(7-9-19-15(13)10-11)18-8-1-2-16(21)20-12-4-5-12/h3,6-7,9-10,12H,1-2,4-5,8H2,(H,18,19)(H,20,21)
InChIKeyJETJEPVZXBZNKY-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.36
Rot. Bonds6

About 4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide

4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide (PubChem CID 112730857) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide
PubChem CID112730857
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide
SMILESO=C(CCCNc1ccnc2cc(Cl)ccc12)NC1CC1
InChIInChI=1S/C16H18ClN3O/c17-11-3-6-13-14(7-9-19-15(13)10-11)18-8-1-2-16(21)20-12-4-5-12/h3,6-7,9-10,12H,1-2,4-5,8H2,(H,18,19)(H,20,21)
InChIKeyJETJEPVZXBZNKY-UHFFFAOYSA-N
XLogP3.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide
CID 42705893
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylcyclobutanecarboxamide
CID 42743654
3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide
CID 61065277
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
13-[(7-chloroquinolin-4-yl)amino]-13-oxotridecanoic acid
CID 156874842
2-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]pyridine-4-carboxamide
CID 22641834
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide
CID 10237562
tert-butyl N-[1-[(E)-4-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-4-oxobut-2-enoyl]piperidin-4-yl]carbamate
CID 162655760

Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide (CID 112730857) is 4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide is O=C(CCCNc1ccnc2cc(Cl)ccc12)NC1CC1.
What is the InChIKey of 4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide?
The InChIKey is JETJEPVZXBZNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-11-3-6-13-14(7-9-19-15(13)10-11)18-8-1-2-16(21)20-12-4-5-12/h3,6-7,9-10,12H,1-2,4-5,8H2,(H,18,19)(H,20,21).
What are the key properties of 4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide?
4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide has a molecular weight of 303.79 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 112730857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).