7-chloro-N-propan-2-yl-N-pyridin-3-ylquinoline-2-carboxamide

C18H16ClN3O — CID 71974517

IUPAC7-chloro-N-propan-2-yl-N-pyridin-3-ylquinoline-2-carboxamide
SMILESCC(C)N(C(=O)c1ccc2ccc(Cl)cc2n1)c1cccnc1
InChIInChI=1S/C18H16ClN3O/c1-12(2)22(15-4-3-9-20-11-15)18(23)16-8-6-13-5-7-14(19)10-17(13)21-16/h3-12H,1-2H3
InChIKeyTURKDEYMSCIONY-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.34
Rot. Bonds3

About 7-chloro-N-propan-2-yl-N-pyridin-3-ylquinoline-2-carboxamide

7-chloro-N-propan-2-yl-N-pyridin-3-ylquinoline-2-carboxamide (PubChem CID 71974517) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 7-chloro-N-propan-2-yl-N-pyridin-3-ylquinoline-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-propan-2-yl-N-pyridin-3-ylquinoline-2-carboxamide
PubChem CID71974517
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name7-chloro-N-propan-2-yl-N-pyridin-3-ylquinoline-2-carboxamide
SMILESCC(C)N(C(=O)c1ccc2ccc(Cl)cc2n1)c1cccnc1
InChIInChI=1S/C18H16ClN3O/c1-12(2)22(15-4-3-9-20-11-15)18(23)16-8-6-13-5-7-14(19)10-17(13)21-16/h3-12H,1-2H3
InChIKeyTURKDEYMSCIONY-UHFFFAOYSA-N
XLogP4.34
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-propan-2-yl-N-pyridin-3-ylquinoline-2-carboxamide?
The IUPAC name of 7-chloro-N-propan-2-yl-N-pyridin-3-ylquinoline-2-carboxamide (CID 71974517) is 7-chloro-N-propan-2-yl-N-pyridin-3-ylquinoline-2-carboxamide.
What is the SMILES notation for 7-chloro-N-propan-2-yl-N-pyridin-3-ylquinoline-2-carboxamide?
The canonical SMILES for 7-chloro-N-propan-2-yl-N-pyridin-3-ylquinoline-2-carboxamide is CC(C)N(C(=O)c1ccc2ccc(Cl)cc2n1)c1cccnc1.
What is the InChIKey of 7-chloro-N-propan-2-yl-N-pyridin-3-ylquinoline-2-carboxamide?
The InChIKey is TURKDEYMSCIONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-12(2)22(15-4-3-9-20-11-15)18(23)16-8-6-13-5-7-14(19)10-17(13)21-16/h3-12H,1-2H3.
What are the key properties of 7-chloro-N-propan-2-yl-N-pyridin-3-ylquinoline-2-carboxamide?
7-chloro-N-propan-2-yl-N-pyridin-3-ylquinoline-2-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-propan-2-yl-N-pyridin-3-ylquinoline-2-carboxamide is sourced from PubChem (CID 71974517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).