N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide

C25H19N5O — CID 2325178

IUPACN-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1[nH]c2ccccc2c1C=NNC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C25H19N5O/c1-16-21(19-9-3-4-10-22(19)28-16)15-27-30-25(31)20-13-24(17-7-6-12-26-14-17)29-23-11-5-2-8-18(20)23/h2-15,28H,1H3,(H,30,31)
InChIKeyDSUOJNRMWBOZBL-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.85
Rot. Bonds4

About N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide

N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 2325178) has the molecular formula C25H19N5O and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID2325178
Molecular FormulaC25H19N5O
Molecular Weight405.46 g/mol
Exact Mass405.16
IUPAC NameN-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1[nH]c2ccccc2c1C=NNC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C25H19N5O/c1-16-21(19-9-3-4-10-22(19)28-16)15-27-30-25(31)20-13-24(17-7-6-12-26-14-17)29-23-11-5-2-8-18(20)23/h2-15,28H,1H3,(H,30,31)
InChIKeyDSUOJNRMWBOZBL-UHFFFAOYSA-N
XLogP4.85
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2082865
N-[(2-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3350380
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 135421558
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078505
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078588
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4306797
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3477696
2-(4-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237207
3-hydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135490389
N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4618882
2-(4-fluorophenyl)-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]quinoline-4-carboxamide
CID 16553728

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide (CID 2325178) is N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is Cc1[nH]c2ccccc2c1C=NNC(=O)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is DSUOJNRMWBOZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O/c1-16-21(19-9-3-4-10-22(19)28-16)15-27-30-25(31)20-13-24(17-7-6-12-26-14-17)29-23-11-5-2-8-18(20)23/h2-15,28H,1H3,(H,30,31).
What are the key properties of N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 2325178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).