N-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide

C16H13N3O2 — CID 838465

IUPACN-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)NN=Cc1ccco1
InChIInChI=1S/C16H13N3O2/c1-11-14(9-12-5-2-3-7-15(12)18-11)16(20)19-17-10-13-6-4-8-21-13/h2-10H,1H3,(H,19,20)
InChIKeyMRODCHBJVPJPEY-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.90
Rot. Bonds3

About N-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide

N-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide (PubChem CID 838465) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide
PubChem CID838465
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)NN=Cc1ccco1
InChIInChI=1S/C16H13N3O2/c1-11-14(9-12-5-2-3-7-15(12)18-11)16(20)19-17-10-13-6-4-8-21-13/h2-10H,1H3,(H,19,20)
InChIKeyMRODCHBJVPJPEY-UHFFFAOYSA-N
XLogP2.90
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
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'}

Analyze N-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
CID 5411378
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 135708601
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 3835530
N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 7727331
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide
CID 6110691
N-(furan-2-ylmethylideneamino)naphthalene-2-carboxamide
CID 67077074
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 6875795
N-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3469190
2,6-dimethyl-N-[(5-phenylfuran-2-yl)methylideneamino]quinoline-3-carboxamide
CID 1020765
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
2-amino-N-[(Z)-furan-2-ylmethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 5397151
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide (CID 838465) is N-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide is Cc1nc2ccccc2cc1C(=O)NN=Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide?
The InChIKey is MRODCHBJVPJPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-14(9-12-5-2-3-7-15(12)18-11)16(20)19-17-10-13-6-4-8-21-13/h2-10H,1H3,(H,19,20).
What are the key properties of N-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide?
N-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 838465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).