6-chloro-4-propan-2-ylquinolin-3-amine

C12H13ClN2 — CID 105476883

IUPAC6-chloro-4-propan-2-ylquinolin-3-amine
SMILESCC(C)c1c(N)cnc2ccc(Cl)cc12
InChIInChI=1S/C12H13ClN2/c1-7(2)12-9-5-8(13)3-4-11(9)15-6-10(12)14/h3-7H,14H2,1-2H3
InChIKeyYDUCKMHIPAMBAI-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.59
Rot. Bonds1

About 6-chloro-4-propan-2-ylquinolin-3-amine

6-chloro-4-propan-2-ylquinolin-3-amine (PubChem CID 105476883) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 6-chloro-4-propan-2-ylquinolin-3-amine.

Molecular Properties

Compound Name6-chloro-4-propan-2-ylquinolin-3-amine
PubChem CID105476883
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name6-chloro-4-propan-2-ylquinolin-3-amine
SMILESCC(C)c1c(N)cnc2ccc(Cl)cc12
InChIInChI=1S/C12H13ClN2/c1-7(2)12-9-5-8(13)3-4-11(9)15-6-10(12)14/h3-7H,14H2,1-2H3
InChIKeyYDUCKMHIPAMBAI-UHFFFAOYSA-N
XLogP3.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-propan-2-ylquinolin-3-amine?
The IUPAC name of 6-chloro-4-propan-2-ylquinolin-3-amine (CID 105476883) is 6-chloro-4-propan-2-ylquinolin-3-amine.
What is the SMILES notation for 6-chloro-4-propan-2-ylquinolin-3-amine?
The canonical SMILES for 6-chloro-4-propan-2-ylquinolin-3-amine is CC(C)c1c(N)cnc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-4-propan-2-ylquinolin-3-amine?
The InChIKey is YDUCKMHIPAMBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-7(2)12-9-5-8(13)3-4-11(9)15-6-10(12)14/h3-7H,14H2,1-2H3.
What are the key properties of 6-chloro-4-propan-2-ylquinolin-3-amine?
6-chloro-4-propan-2-ylquinolin-3-amine has a molecular weight of 220.70 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-propan-2-ylquinolin-3-amine is sourced from PubChem (CID 105476883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).