N-(diaminomethylidene)-1-quinolin-4-ylpyrrole-3-carboxamide

C15H13N5O — CID 10265602

IUPACN-(diaminomethylidene)-1-quinolin-4-ylpyrrole-3-carboxamide
SMILESNC(N)=NC(=O)c1ccn(-c2ccnc3ccccc23)c1
InChIInChI=1S/C15H13N5O/c16-15(17)19-14(21)10-6-8-20(9-10)13-5-7-18-12-4-2-1-3-11(12)13/h1-9H,(H4,16,17,19,21)
InChIKeyAPKXSMMVBYVEMW-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.44
Rot. Bonds2

About N-(diaminomethylidene)-1-quinolin-4-ylpyrrole-3-carboxamide

N-(diaminomethylidene)-1-quinolin-4-ylpyrrole-3-carboxamide (PubChem CID 10265602) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(diaminomethylidene)-1-quinolin-4-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-1-quinolin-4-ylpyrrole-3-carboxamide
PubChem CID10265602
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC NameN-(diaminomethylidene)-1-quinolin-4-ylpyrrole-3-carboxamide
SMILESNC(N)=NC(=O)c1ccn(-c2ccnc3ccccc23)c1
InChIInChI=1S/C15H13N5O/c16-15(17)19-14(21)10-6-8-20(9-10)13-5-7-18-12-4-2-1-3-11(12)13/h1-9H,(H4,16,17,19,21)
InChIKeyAPKXSMMVBYVEMW-UHFFFAOYSA-N
XLogP1.44
TPSA99.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Zoniporide
CID 6433110
1-methyl-1H-indole-3-carboxamide
CID 823187
N-5-quinolinylnicotinamide
CID 952495
Quinoline-8-carboxamide
CID 150664
3-Quinolinecarboxamide
CID 15561101
Zoniporide hydrochloride
CID 11962997
3-Methylquinoline-8-carboxamide
CID 25208598
N-(quinolin-3-yl)pyridine-4-carboxamide
CID 2837057
N-quinolin-3-ylpyridine-3-carboxamide
CID 5043098
6-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide
CID 18436129
N-(5-Methyl-1-quinolin-5-yl-1H-pyrazole-4-carbonyl)-guanidine
CID 22267755
(1-methyl-1H-indol-3-yl)(piperidino)methanone
CID 3737444

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-1-quinolin-4-ylpyrrole-3-carboxamide?
The IUPAC name of N-(diaminomethylidene)-1-quinolin-4-ylpyrrole-3-carboxamide (CID 10265602) is N-(diaminomethylidene)-1-quinolin-4-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-1-quinolin-4-ylpyrrole-3-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-1-quinolin-4-ylpyrrole-3-carboxamide is NC(N)=NC(=O)c1ccn(-c2ccnc3ccccc23)c1.
What is the InChIKey of N-(diaminomethylidene)-1-quinolin-4-ylpyrrole-3-carboxamide?
The InChIKey is APKXSMMVBYVEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-15(17)19-14(21)10-6-8-20(9-10)13-5-7-18-12-4-2-1-3-11(12)13/h1-9H,(H4,16,17,19,21).
What are the key properties of N-(diaminomethylidene)-1-quinolin-4-ylpyrrole-3-carboxamide?
N-(diaminomethylidene)-1-quinolin-4-ylpyrrole-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-1-quinolin-4-ylpyrrole-3-carboxamide is sourced from PubChem (CID 10265602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).