N-(2-methyl-1,3-benzoxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide

C23H16N4O2 — CID 41173034

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc(-c4ccncc4)nc4ccccc34)ccc2o1
InChIInChI=1S/C23H16N4O2/c1-14-25-21-12-16(6-7-22(21)29-14)26-23(28)18-13-20(15-8-10-24-11-9-15)27-19-5-3-2-4-17(18)19/h2-13H,1H3,(H,26,28)
InChIKeyYBNNEZHTBWTBDS-UHFFFAOYSA-N
MW380.41 g/mol
LogP5.00
Rot. Bonds3

About N-(2-methyl-1,3-benzoxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide

N-(2-methyl-1,3-benzoxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 41173034) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID41173034
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc(-c4ccncc4)nc4ccccc34)ccc2o1
InChIInChI=1S/C23H16N4O2/c1-14-25-21-12-16(6-7-22(21)29-14)26-23(28)18-13-20(15-8-10-24-11-9-15)27-19-5-3-2-4-17(18)19/h2-13H,1H3,(H,26,28)
InChIKeyYBNNEZHTBWTBDS-UHFFFAOYSA-N
XLogP5.00
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
N-(2-methyl-1,3-benzoxazol-5-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 9490450
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2330776
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 81225184
N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261334
N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 21227643
6-methyl-N,2-dipyridin-4-ylquinoline-4-carboxamide
CID 899146
2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 699256
N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26289344
N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide
CID 30035454

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 41173034) is N-(2-methyl-1,3-benzoxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide is Cc1nc2cc(NC(=O)c3cc(-c4ccncc4)nc4ccccc34)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is YBNNEZHTBWTBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2/c1-14-25-21-12-16(6-7-22(21)29-14)26-23(28)18-13-20(15-8-10-24-11-9-15)27-19-5-3-2-4-17(18)19/h2-13H,1H3,(H,26,28).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 41173034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).