3-(cyclopropylmethyl)-N-(5-morpholin-4-ylquinolin-8-yl)imidazole-4-sulfonamide

C20H23N5O3S — CID 164876819

IUPAC3-(cyclopropylmethyl)-N-(5-morpholin-4-ylquinolin-8-yl)imidazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)c2cccnc12)c1cncn1CC1CC1
InChIInChI=1S/C20H23N5O3S/c26-29(27,19-12-21-14-25(19)13-15-3-4-15)23-17-5-6-18(24-8-10-28-11-9-24)16-2-1-7-22-20(16)17/h1-2,5-7,12,14-15,23H,3-4,8-11,13H2
InChIKeyJUJHTZNCKNRHJZ-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.48
Rot. Bonds6

About 3-(cyclopropylmethyl)-N-(5-morpholin-4-ylquinolin-8-yl)imidazole-4-sulfonamide

3-(cyclopropylmethyl)-N-(5-morpholin-4-ylquinolin-8-yl)imidazole-4-sulfonamide (PubChem CID 164876819) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-N-(5-morpholin-4-ylquinolin-8-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-N-(5-morpholin-4-ylquinolin-8-yl)imidazole-4-sulfonamide
PubChem CID164876819
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name3-(cyclopropylmethyl)-N-(5-morpholin-4-ylquinolin-8-yl)imidazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)c2cccnc12)c1cncn1CC1CC1
InChIInChI=1S/C20H23N5O3S/c26-29(27,19-12-21-14-25(19)13-15-3-4-15)23-17-5-6-18(24-8-10-28-11-9-24)16-2-1-7-22-20(16)17/h1-2,5-7,12,14-15,23H,3-4,8-11,13H2
InChIKeyJUJHTZNCKNRHJZ-UHFFFAOYSA-N
XLogP2.48
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(cyclopropylmethyl)-N-(5-morpholin-4-ylquinolin-8-yl)imidazole-4-sulfonamide 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-methylpyrazin-2-yl)sulfanyl-5-morpholin-4-ylquinolin-8-amine
CID 164876844
3-[(5-morpholin-4-ylquinolin-8-yl)amino]sulfanylbenzaldehyde
CID 164876915
N-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide
CID 169225092
(8-piperidin-1-ylquinolin-5-yl)urea
CID 167992902
2-morpholin-4-yl-N-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridine-3-sulfonamide
CID 166097562
3-morpholin-4-yl-N-quinolin-8-ylpropane-1-sulfonamide
CID 3830487
1-(8-aminoquinolin-5-yl)piperidin-4-ol
CID 43382826
4-N,4-N-dimethyl-1-N-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]benzene-1,4-disulfonamide
CID 165388902
N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]pyridine-3-sulfonamide
CID 58229517
(3R)-1-[5-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]quinolin-8-yl]pyrrolidine-3-carboxylic acid
CID 118952784
5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine
CID 43449552
8-(2-chlorophenyl)-6-(cyclopropylmethyl)-1,6-naphthyridin-5-one
CID 67695813

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-N-(5-morpholin-4-ylquinolin-8-yl)imidazole-4-sulfonamide?
The IUPAC name of 3-(cyclopropylmethyl)-N-(5-morpholin-4-ylquinolin-8-yl)imidazole-4-sulfonamide (CID 164876819) is 3-(cyclopropylmethyl)-N-(5-morpholin-4-ylquinolin-8-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 3-(cyclopropylmethyl)-N-(5-morpholin-4-ylquinolin-8-yl)imidazole-4-sulfonamide?
The canonical SMILES for 3-(cyclopropylmethyl)-N-(5-morpholin-4-ylquinolin-8-yl)imidazole-4-sulfonamide is O=S(=O)(Nc1ccc(N2CCOCC2)c2cccnc12)c1cncn1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-N-(5-morpholin-4-ylquinolin-8-yl)imidazole-4-sulfonamide?
The InChIKey is JUJHTZNCKNRHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c26-29(27,19-12-21-14-25(19)13-15-3-4-15)23-17-5-6-18(24-8-10-28-11-9-24)16-2-1-7-22-20(16)17/h1-2,5-7,12,14-15,23H,3-4,8-11,13H2.
What are the key properties of 3-(cyclopropylmethyl)-N-(5-morpholin-4-ylquinolin-8-yl)imidazole-4-sulfonamide?
3-(cyclopropylmethyl)-N-(5-morpholin-4-ylquinolin-8-yl)imidazole-4-sulfonamide has a molecular weight of 413.50 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-N-(5-morpholin-4-ylquinolin-8-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 164876819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).