N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide

C24H22N4O2 — CID 137423254

IUPACN'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide
SMILESCC(=O)c1cc(-c2ccc3ncccc3c2)c(-c2ccc(C)o2)nc1/N=C/N(C)C
InChIInChI=1S/C24H22N4O2/c1-15-7-10-22(30-15)23-20(17-8-9-21-18(12-17)6-5-11-25-21)13-19(16(2)29)24(27-23)26-14-28(3)4/h5-14H,1-4H3/b26-14+
InChIKeyCCDAPTKVQRJGKB-VULFUBBASA-N
MW398.47 g/mol
LogP5.29
Rot. Bonds5

About N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide

N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide (PubChem CID 137423254) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide
PubChem CID137423254
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide
SMILESCC(=O)c1cc(-c2ccc3ncccc3c2)c(-c2ccc(C)o2)nc1/N=C/N(C)C
InChIInChI=1S/C24H22N4O2/c1-15-7-10-22(30-15)23-20(17-8-9-21-18(12-17)6-5-11-25-21)13-19(16(2)29)24(27-23)26-14-28(3)4/h5-14H,1-4H3/b26-14+
InChIKeyCCDAPTKVQRJGKB-VULFUBBASA-N
XLogP5.29
TPSA71.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide 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'-[3-acetyl-6-(3-cyanophenyl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide
CID 172798162
3-methyl-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438814
4-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438175
7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438840
7-(5-methylfuran-2-yl)-3-pyridin-2-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438252
3-(5-methylfuran-2-yl)-7-pyridin-3-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657332
5-fluoro-2-quinolin-6-ylbenzoic acid
CID 81224039
3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one
CID 155675024
1-[4-(5-methylfuran-2-yl)phenyl]ethanone
CID 5167325
4-methyl-3-quinolin-6-ylaniline
CID 81224667
(E)-3-(dimethylamino)-2-quinolin-6-ylprop-2-enoic acid
CID 175310043
6-(3-methylphenyl)quinoline
CID 4185278

Frequently Asked Questions

What is the IUPAC name of N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide (CID 137423254) is N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide is CC(=O)c1cc(-c2ccc3ncccc3c2)c(-c2ccc(C)o2)nc1/N=C/N(C)C.
What is the InChIKey of N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide?
The InChIKey is CCDAPTKVQRJGKB-VULFUBBASA-N. The full InChI is InChI=1S/C24H22N4O2/c1-15-7-10-22(30-15)23-20(17-8-9-21-18(12-17)6-5-11-25-21)13-19(16(2)29)24(27-23)26-14-28(3)4/h5-14H,1-4H3/b26-14+.
What are the key properties of N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide?
N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide has a molecular weight of 398.47 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 137423254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).