N-[1-(2,3-difluoro-4-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide

C20H18F2N4O — CID 135125818

IUPACN-[1-(2,3-difluoro-4-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NC3CN(c4ccnc(F)c4F)C3)ccc2n1
InChIInChI=1S/C20H18F2N4O/c1-11-7-12(2)24-16-4-3-13(8-15(11)16)20(27)25-14-9-26(10-14)17-5-6-23-19(22)18(17)21/h3-8,14H,9-10H2,1-2H3,(H,25,27)
InChIKeySVLSOTNRZIJTHB-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.14
Rot. Bonds3

About N-[1-(2,3-difluoro-4-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide

N-[1-(2,3-difluoro-4-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide (PubChem CID 135125818) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[1-(2,3-difluoro-4-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-difluoro-4-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide
PubChem CID135125818
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-[1-(2,3-difluoro-4-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NC3CN(c4ccnc(F)c4F)C3)ccc2n1
InChIInChI=1S/C20H18F2N4O/c1-11-7-12(2)24-16-4-3-13(8-15(11)16)20(27)25-14-9-26(10-14)17-5-6-23-19(22)18(17)21/h3-8,14H,9-10H2,1-2H3,(H,25,27)
InChIKeySVLSOTNRZIJTHB-UHFFFAOYSA-N
XLogP3.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

9-amino-N-(3-(dimethylamino)propyl)acridine-4-carboxamide
CID 150238
((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
SN 6999
CID 149449
Quinolinium dibromide
CID 162087
N-((4-dimethylamino)butyl)-9-aminoacridine-4-carboxamide
CID 124660
1-Methyl-4-{[4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium
CID 128904
9-Amino-N-(2-(dimethylamino)ethyl)-4-acridinecarboxamide
CID 128962
Dihydropyrrolopyrazole, 9
CID 10203646
4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951573
4-(cyclohexylamino)-N-quinolin-3-ylbenzamide
CID 44450288
4-[methyl(nonyl)amino]-N-quinolin-3-ylbenzamide
CID 44450300
4-[methyl(octyl)amino]-N-quinolin-3-ylbenzamide
CID 44450313

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-difluoro-4-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide?
The IUPAC name of N-[1-(2,3-difluoro-4-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide (CID 135125818) is N-[1-(2,3-difluoro-4-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide.
What is the SMILES notation for N-[1-(2,3-difluoro-4-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide?
The canonical SMILES for N-[1-(2,3-difluoro-4-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide is Cc1cc(C)c2cc(C(=O)NC3CN(c4ccnc(F)c4F)C3)ccc2n1.
What is the InChIKey of N-[1-(2,3-difluoro-4-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide?
The InChIKey is SVLSOTNRZIJTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-11-7-12(2)24-16-4-3-13(8-15(11)16)20(27)25-14-9-26(10-14)17-5-6-23-19(22)18(17)21/h3-8,14H,9-10H2,1-2H3,(H,25,27).
What are the key properties of N-[1-(2,3-difluoro-4-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide?
N-[1-(2,3-difluoro-4-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-difluoro-4-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide is sourced from PubChem (CID 135125818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).