N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide

C24H17ClFN3O3 — CID 1460041

IUPACN-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
SMILESO=C(c1ccncc1)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2nc1Cl)OCO3
InChIInChI=1S/C24H17ClFN3O3/c25-23-18(9-17-10-21-22(32-14-31-21)11-20(17)28-23)13-29(12-15-1-3-19(26)4-2-15)24(30)16-5-7-27-8-6-16/h1-11H,12-14H2
InChIKeyNNBWSKXGAMMKFW-UHFFFAOYSA-N
MW449.87 g/mol
LogP4.99
Rot. Bonds5

About N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide

N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide (PubChem CID 1460041) has the molecular formula C24H17ClFN3O3 and a molecular weight of 449.87 g/mol. Its IUPAC name is N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
PubChem CID1460041
Molecular FormulaC24H17ClFN3O3
Molecular Weight449.87 g/mol
Exact Mass449.09
IUPAC NameN-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
SMILESO=C(c1ccncc1)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2nc1Cl)OCO3
InChIInChI=1S/C24H17ClFN3O3/c25-23-18(9-17-10-21-22(32-14-31-21)11-20(17)28-23)13-29(12-15-1-3-19(26)4-2-15)24(30)16-5-7-27-8-6-16/h1-11H,12-14H2
InChIKeyNNBWSKXGAMMKFW-UHFFFAOYSA-N
XLogP4.99
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.87
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 43813641
2-chloro-N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 1460043
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 1459958
N-[(4-fluorophenyl)methyl]-N-prop-2-ynylpyridine-4-carboxamide
CID 52780863
N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 3216993
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 43813618
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyacetamide
CID 3216958
N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoro-2-morpholin-4-ylquinolin-3-yl)methyl]-4-(trifluoromethyl)benzamide
CID 45245588
N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyacetamide
CID 1459994
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-7-fluoroquinoline-3-carboxamide
CID 110299120
3-benzyl-1-[(4-fluorophenyl)methyl]-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea
CID 3195035
N-cyclopentyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]pyridine-4-carboxamide
CID 23913655

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide (CID 1460041) is N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide is O=C(c1ccncc1)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2nc1Cl)OCO3.
What is the InChIKey of N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is NNBWSKXGAMMKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3O3/c25-23-18(9-17-10-21-22(32-14-31-21)11-20(17)28-23)13-29(12-15-1-3-19(26)4-2-15)24(30)16-5-7-27-8-6-16/h1-11H,12-14H2.
What are the key properties of N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide?
N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide has a molecular weight of 449.87 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 1460041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).