6-chloro-2-cyclopropyl-8-iodo-N-propylquinolin-4-amine

C15H16ClIN2 — CID 107628798

IUPAC6-chloro-2-cyclopropyl-8-iodo-N-propylquinolin-4-amine
SMILESCCCNc1cc(C2CC2)nc2c(I)cc(Cl)cc12
InChIInChI=1S/C15H16ClIN2/c1-2-5-18-14-8-13(9-3-4-9)19-15-11(14)6-10(16)7-12(15)17/h6-9H,2-5H2,1H3,(H,18,19)
InChIKeyRTCKKCASEFGNHN-UHFFFAOYSA-N
MW386.66 g/mol
LogP5.19
Rot. Bonds4

About 6-chloro-2-cyclopropyl-8-iodo-N-propylquinolin-4-amine

6-chloro-2-cyclopropyl-8-iodo-N-propylquinolin-4-amine (PubChem CID 107628798) has the molecular formula C15H16ClIN2 and a molecular weight of 386.66 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-8-iodo-N-propylquinolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-8-iodo-N-propylquinolin-4-amine
PubChem CID107628798
Molecular FormulaC15H16ClIN2
Molecular Weight386.66 g/mol
Exact Mass386.00
IUPAC Name6-chloro-2-cyclopropyl-8-iodo-N-propylquinolin-4-amine
SMILESCCCNc1cc(C2CC2)nc2c(I)cc(Cl)cc12
InChIInChI=1S/C15H16ClIN2/c1-2-5-18-14-8-13(9-3-4-9)19-15-11(14)6-10(16)7-12(15)17/h6-9H,2-5H2,1H3,(H,18,19)
InChIKeyRTCKKCASEFGNHN-UHFFFAOYSA-N
XLogP5.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.66
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-2-cyclopropyl-8-fluoro-N-propylquinolin-4-amine
CID 63480363
2-cyclopropyl-8-methyl-N-propylquinolin-4-amine
CID 63358059
6-chloro-2-cyclopropyl-8-fluoro-N-methylquinolin-4-amine
CID 63357835
6-chloro-2-ethyl-8-iodo-3-methyl-N-propylquinolin-4-amine
CID 107628851
7-bromo-2-cyclopentyl-8-methyl-N-propylquinolin-4-amine
CID 107628646
8-chloro-2-cyclopentyl-5-methyl-N-propylquinolin-4-amine
CID 107628758
6-bromo-2-cyclopropyl-5,8-difluoro-N-propylquinolin-4-amine
CID 107616783
2-cyclopropyl-N-ethyl-5-iodo-8-methylquinolin-4-amine
CID 114257965
2-cyclopropyl-N-ethyl-6-fluoro-8-methylquinolin-4-amine
CID 55190697
2-cyclopropyl-N-ethyl-8-fluoroquinolin-4-amine
CID 55190878
6,8-dichloro-2-(methoxymethyl)-N-propylquinolin-4-amine
CID 55062733
6-bromo-2-cyclopropyl-N,8-diethylquinolin-4-amine
CID 81287597

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-8-iodo-N-propylquinolin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-8-iodo-N-propylquinolin-4-amine (CID 107628798) is 6-chloro-2-cyclopropyl-8-iodo-N-propylquinolin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-8-iodo-N-propylquinolin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-8-iodo-N-propylquinolin-4-amine is CCCNc1cc(C2CC2)nc2c(I)cc(Cl)cc12.
What is the InChIKey of 6-chloro-2-cyclopropyl-8-iodo-N-propylquinolin-4-amine?
The InChIKey is RTCKKCASEFGNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClIN2/c1-2-5-18-14-8-13(9-3-4-9)19-15-11(14)6-10(16)7-12(15)17/h6-9H,2-5H2,1H3,(H,18,19).
What are the key properties of 6-chloro-2-cyclopropyl-8-iodo-N-propylquinolin-4-amine?
6-chloro-2-cyclopropyl-8-iodo-N-propylquinolin-4-amine has a molecular weight of 386.66 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-8-iodo-N-propylquinolin-4-amine is sourced from PubChem (CID 107628798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).