4-chloro-2-methyl-6-piperidin-1-yl-3-propan-2-ylquinoline

C18H23ClN2 — CID 63409043

IUPAC4-chloro-2-methyl-6-piperidin-1-yl-3-propan-2-ylquinoline
SMILESCc1nc2ccc(N3CCCCC3)cc2c(Cl)c1C(C)C
InChIInChI=1S/C18H23ClN2/c1-12(2)17-13(3)20-16-8-7-14(11-15(16)18(17)19)21-9-5-4-6-10-21/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyALENIYHOZSLZIF-UHFFFAOYSA-N
MW302.85 g/mol
LogP5.31
Rot. Bonds2

About 4-chloro-2-methyl-6-piperidin-1-yl-3-propan-2-ylquinoline

4-chloro-2-methyl-6-piperidin-1-yl-3-propan-2-ylquinoline (PubChem CID 63409043) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-piperidin-1-yl-3-propan-2-ylquinoline.

Molecular Properties

Compound Name4-chloro-2-methyl-6-piperidin-1-yl-3-propan-2-ylquinoline
PubChem CID63409043
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name4-chloro-2-methyl-6-piperidin-1-yl-3-propan-2-ylquinoline
SMILESCc1nc2ccc(N3CCCCC3)cc2c(Cl)c1C(C)C
InChIInChI=1S/C18H23ClN2/c1-12(2)17-13(3)20-16-8-7-14(11-15(16)18(17)19)21-9-5-4-6-10-21/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyALENIYHOZSLZIF-UHFFFAOYSA-N
XLogP5.31
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.85
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-piperidin-1-yl-3-propan-2-ylquinoline?
The IUPAC name of 4-chloro-2-methyl-6-piperidin-1-yl-3-propan-2-ylquinoline (CID 63409043) is 4-chloro-2-methyl-6-piperidin-1-yl-3-propan-2-ylquinoline.
What is the SMILES notation for 4-chloro-2-methyl-6-piperidin-1-yl-3-propan-2-ylquinoline?
The canonical SMILES for 4-chloro-2-methyl-6-piperidin-1-yl-3-propan-2-ylquinoline is Cc1nc2ccc(N3CCCCC3)cc2c(Cl)c1C(C)C.
What is the InChIKey of 4-chloro-2-methyl-6-piperidin-1-yl-3-propan-2-ylquinoline?
The InChIKey is ALENIYHOZSLZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-12(2)17-13(3)20-16-8-7-14(11-15(16)18(17)19)21-9-5-4-6-10-21/h7-8,11-12H,4-6,9-10H2,1-3H3.
What are the key properties of 4-chloro-2-methyl-6-piperidin-1-yl-3-propan-2-ylquinoline?
4-chloro-2-methyl-6-piperidin-1-yl-3-propan-2-ylquinoline has a molecular weight of 302.85 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-piperidin-1-yl-3-propan-2-ylquinoline is sourced from PubChem (CID 63409043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).