1-[(2,6-dichlorophenyl)methyl]-N-pyridin-4-ylpyrazolo[5,4-g]quinoline-3-carboxamide

C23H15Cl2N5O — CID 11590448

IUPAC1-[(2,6-dichlorophenyl)methyl]-N-pyridin-4-ylpyrazolo[5,4-g]quinoline-3-carboxamide
SMILESO=C(Nc1ccncc1)c1nn(Cc2c(Cl)cccc2Cl)c2cc3cccnc3cc12
InChIInChI=1S/C23H15Cl2N5O/c24-18-4-1-5-19(25)17(18)13-30-21-11-14-3-2-8-27-20(14)12-16(21)22(29-30)23(31)28-15-6-9-26-10-7-15/h1-12H,13H2,(H,26,28,31)
InChIKeyOVZSGUBLXGOYKR-UHFFFAOYSA-N
MW448.31 g/mol
LogP5.59
Rot. Bonds4

About 1-[(2,6-dichlorophenyl)methyl]-N-pyridin-4-ylpyrazolo[5,4-g]quinoline-3-carboxamide

1-[(2,6-dichlorophenyl)methyl]-N-pyridin-4-ylpyrazolo[5,4-g]quinoline-3-carboxamide (PubChem CID 11590448) has the molecular formula C23H15Cl2N5O and a molecular weight of 448.31 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-N-pyridin-4-ylpyrazolo[5,4-g]quinoline-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-N-pyridin-4-ylpyrazolo[5,4-g]quinoline-3-carboxamide
PubChem CID11590448
Molecular FormulaC23H15Cl2N5O
Molecular Weight448.31 g/mol
Exact Mass447.07
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-N-pyridin-4-ylpyrazolo[5,4-g]quinoline-3-carboxamide
SMILESO=C(Nc1ccncc1)c1nn(Cc2c(Cl)cccc2Cl)c2cc3cccnc3cc12
InChIInChI=1S/C23H15Cl2N5O/c24-18-4-1-5-19(25)17(18)13-30-21-11-14-3-2-8-27-20(14)12-16(21)22(29-30)23(31)28-15-6-9-26-10-7-15/h1-12H,13H2,(H,26,28,31)
InChIKeyOVZSGUBLXGOYKR-UHFFFAOYSA-N
XLogP5.59
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.31
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-N-(1,3-thiazol-2-yl)indazole-3-carboxamide
CID 11603783
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330
3-chloro-N-quinolin-6-ylpyridine-4-carboxamide
CID 66484536
N-quinolin-7-yl-1H-indazole-3-carboxamide
CID 28734040
1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide
CID 2747070
N-(3,4-dichlorophenyl)quinoline-7-carboxamide
CID 142343714
N-(3-chlorophenyl)-6-methylquinoline-7-carboxamide
CID 142343847
N-(4-chlorophenyl)-6-fluoroquinoline-7-carboxamide
CID 142343829
1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)indazole-3-carboxamide
CID 11704695
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]quinoxaline-2-carboxamide
CID 46451511
4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide
CID 60555807
2-chloro-6-methyl-N-pyridin-4-ylbenzamide
CID 59618146

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-N-pyridin-4-ylpyrazolo[5,4-g]quinoline-3-carboxamide?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-N-pyridin-4-ylpyrazolo[5,4-g]quinoline-3-carboxamide (CID 11590448) is 1-[(2,6-dichlorophenyl)methyl]-N-pyridin-4-ylpyrazolo[5,4-g]quinoline-3-carboxamide.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-N-pyridin-4-ylpyrazolo[5,4-g]quinoline-3-carboxamide?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-N-pyridin-4-ylpyrazolo[5,4-g]quinoline-3-carboxamide is O=C(Nc1ccncc1)c1nn(Cc2c(Cl)cccc2Cl)c2cc3cccnc3cc12.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-N-pyridin-4-ylpyrazolo[5,4-g]quinoline-3-carboxamide?
The InChIKey is OVZSGUBLXGOYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2N5O/c24-18-4-1-5-19(25)17(18)13-30-21-11-14-3-2-8-27-20(14)12-16(21)22(29-30)23(31)28-15-6-9-26-10-7-15/h1-12H,13H2,(H,26,28,31).
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-N-pyridin-4-ylpyrazolo[5,4-g]quinoline-3-carboxamide?
1-[(2,6-dichlorophenyl)methyl]-N-pyridin-4-ylpyrazolo[5,4-g]quinoline-3-carboxamide has a molecular weight of 448.31 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-N-pyridin-4-ylpyrazolo[5,4-g]quinoline-3-carboxamide is sourced from PubChem (CID 11590448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).