N-(quinolin-4-ylmethylideneamino)formamide

C11H9N3O — CID 73233132

IUPACN-(quinolin-4-ylmethylideneamino)formamide
SMILESO=CNN=Cc1ccnc2ccccc12
InChIInChI=1S/C11H9N3O/c15-8-14-13-7-9-5-6-12-11-4-2-1-3-10(9)11/h1-8H,(H,14,15)
InChIKeyPYCKFSCYASYGHJ-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.31
Rot. Bonds3

About N-(quinolin-4-ylmethylideneamino)formamide

N-(quinolin-4-ylmethylideneamino)formamide (PubChem CID 73233132) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is N-(quinolin-4-ylmethylideneamino)formamide.

Molecular Properties

Compound NameN-(quinolin-4-ylmethylideneamino)formamide
PubChem CID73233132
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC NameN-(quinolin-4-ylmethylideneamino)formamide
SMILESO=CNN=Cc1ccnc2ccccc12
InChIInChI=1S/C11H9N3O/c15-8-14-13-7-9-5-6-12-11-4-2-1-3-10(9)11/h1-8H,(H,14,15)
InChIKeyPYCKFSCYASYGHJ-UHFFFAOYSA-N
XLogP1.31
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-quinolin-4-ylmethanimine
CID 119086177
methyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate
CID 5354484
4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate
CID 7732012
2-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid
CID 20846182
(E)-3-quinolin-4-ylprop-2-enal
CID 10419846
3-(furan-2-yl)-N-(quinolin-4-ylmethylideneamino)prop-2-enamide
CID 6734706
N-(4-chlorophenyl)-1-quinolin-4-ylmethanimine
CID 163183574
3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide
CID 10157205
2-(quinolin-4-ylmethylideneamino)oxyacetic acid
CID 77013302
N-methyl-N-[(Z)-quinolin-4-ylmethylideneamino]aniline
CID 6179003
4-[(Z)-prop-1-enyl]quinoline
CID 89064507
7-chloro-4-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]quinazolin-2-amine
CID 119040914

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-4-ylmethylideneamino)formamide?
The IUPAC name of N-(quinolin-4-ylmethylideneamino)formamide (CID 73233132) is N-(quinolin-4-ylmethylideneamino)formamide.
What is the SMILES notation for N-(quinolin-4-ylmethylideneamino)formamide?
The canonical SMILES for N-(quinolin-4-ylmethylideneamino)formamide is O=CNN=Cc1ccnc2ccccc12.
What is the InChIKey of N-(quinolin-4-ylmethylideneamino)formamide?
The InChIKey is PYCKFSCYASYGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c15-8-14-13-7-9-5-6-12-11-4-2-1-3-10(9)11/h1-8H,(H,14,15).
What are the key properties of N-(quinolin-4-ylmethylideneamino)formamide?
N-(quinolin-4-ylmethylideneamino)formamide has a molecular weight of 199.21 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-4-ylmethylideneamino)formamide is sourced from PubChem (CID 73233132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).