6-[5-(4-chlorophenyl)-2-pyridinyl]-N,4-dimethyl-N-propan-2-ylquinolin-2-amine

C25H24ClN3 — CID 71022685

IUPAC6-[5-(4-chlorophenyl)-2-pyridinyl]-N,4-dimethyl-N-propan-2-ylquinolin-2-amine
SMILESCc1cc(N(C)C(C)C)nc2ccc(-c3ccc(-c4ccc(Cl)cc4)cn3)cc12
InChIInChI=1S/C25H24ClN3/c1-16(2)29(4)25-13-17(3)22-14-19(7-12-24(22)28-25)23-11-8-20(15-27-23)18-5-9-21(26)10-6-18/h5-16H,1-4H3
InChIKeyDYMHSLKHTNLNHT-UHFFFAOYSA-N
MW401.94 g/mol
LogP6.77
Rot. Bonds4

About 6-[5-(4-chlorophenyl)-2-pyridinyl]-N,4-dimethyl-N-propan-2-ylquinolin-2-amine

6-[5-(4-chlorophenyl)-2-pyridinyl]-N,4-dimethyl-N-propan-2-ylquinolin-2-amine (PubChem CID 71022685) has the molecular formula C25H24ClN3 and a molecular weight of 401.94 g/mol. Its IUPAC name is 6-[5-(4-chlorophenyl)-2-pyridinyl]-N,4-dimethyl-N-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound Name6-[5-(4-chlorophenyl)-2-pyridinyl]-N,4-dimethyl-N-propan-2-ylquinolin-2-amine
PubChem CID71022685
Molecular FormulaC25H24ClN3
Molecular Weight401.94 g/mol
Exact Mass401.17
IUPAC Name6-[5-(4-chlorophenyl)-2-pyridinyl]-N,4-dimethyl-N-propan-2-ylquinolin-2-amine
SMILESCc1cc(N(C)C(C)C)nc2ccc(-c3ccc(-c4ccc(Cl)cc4)cn3)cc12
InChIInChI=1S/C25H24ClN3/c1-16(2)29(4)25-13-17(3)22-14-19(7-12-24(22)28-25)23-11-8-20(15-27-23)18-5-9-21(26)10-6-18/h5-16H,1-4H3
InChIKeyDYMHSLKHTNLNHT-UHFFFAOYSA-N
XLogP6.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.94
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-chlorophenyl)-2-pyridinyl]-N,4-dimethyl-N-propan-2-ylquinolin-2-amine?
The IUPAC name of 6-[5-(4-chlorophenyl)-2-pyridinyl]-N,4-dimethyl-N-propan-2-ylquinolin-2-amine (CID 71022685) is 6-[5-(4-chlorophenyl)-2-pyridinyl]-N,4-dimethyl-N-propan-2-ylquinolin-2-amine.
What is the SMILES notation for 6-[5-(4-chlorophenyl)-2-pyridinyl]-N,4-dimethyl-N-propan-2-ylquinolin-2-amine?
The canonical SMILES for 6-[5-(4-chlorophenyl)-2-pyridinyl]-N,4-dimethyl-N-propan-2-ylquinolin-2-amine is Cc1cc(N(C)C(C)C)nc2ccc(-c3ccc(-c4ccc(Cl)cc4)cn3)cc12.
What is the InChIKey of 6-[5-(4-chlorophenyl)-2-pyridinyl]-N,4-dimethyl-N-propan-2-ylquinolin-2-amine?
The InChIKey is DYMHSLKHTNLNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3/c1-16(2)29(4)25-13-17(3)22-14-19(7-12-24(22)28-25)23-11-8-20(15-27-23)18-5-9-21(26)10-6-18/h5-16H,1-4H3.
What are the key properties of 6-[5-(4-chlorophenyl)-2-pyridinyl]-N,4-dimethyl-N-propan-2-ylquinolin-2-amine?
6-[5-(4-chlorophenyl)-2-pyridinyl]-N,4-dimethyl-N-propan-2-ylquinolin-2-amine has a molecular weight of 401.94 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-chlorophenyl)-2-pyridinyl]-N,4-dimethyl-N-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 71022685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).