N-[4-(difluoromethoxy)phenyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide

C23H17F2N3O2 — CID 1261372

IUPACN-[4-(difluoromethoxy)phenyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccncc3)cc(C(=O)Nc3ccc(OC(F)F)cc3)c2c1
InChIInChI=1S/C23H17F2N3O2/c1-14-2-7-20-18(12-14)19(13-21(28-20)15-8-10-26-11-9-15)22(29)27-16-3-5-17(6-4-16)30-23(24)25/h2-13,23H,1H3,(H,27,29)
InChIKeyCXVCDUVJMVNJFG-UHFFFAOYSA-N
MW405.40 g/mol
LogP5.46
Rot. Bonds5

About N-[4-(difluoromethoxy)phenyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide

N-[4-(difluoromethoxy)phenyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 1261372) has the molecular formula C23H17F2N3O2 and a molecular weight of 405.40 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID1261372
Molecular FormulaC23H17F2N3O2
Molecular Weight405.40 g/mol
Exact Mass405.13
IUPAC NameN-[4-(difluoromethoxy)phenyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccncc3)cc(C(=O)Nc3ccc(OC(F)F)cc3)c2c1
InChIInChI=1S/C23H17F2N3O2/c1-14-2-7-20-18(12-14)19(13-21(28-20)15-8-10-26-11-9-15)22(29)27-16-3-5-17(6-4-16)30-23(24)25/h2-13,23H,1H3,(H,27,29)
InChIKeyCXVCDUVJMVNJFG-UHFFFAOYSA-N
XLogP5.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.40
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide (CID 1261372) is N-[4-(difluoromethoxy)phenyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccncc3)cc(C(=O)Nc3ccc(OC(F)F)cc3)c2c1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is CXVCDUVJMVNJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O2/c1-14-2-7-20-18(12-14)19(13-21(28-20)15-8-10-26-11-9-15)22(29)27-16-3-5-17(6-4-16)30-23(24)25/h2-13,23H,1H3,(H,27,29).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
N-[4-(difluoromethoxy)phenyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 405.40 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 1261372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).