N-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide

C19H21N3O2S — CID 121238974

IUPACN-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
SMILESCSCCC(C(=O)Nc1ccc2c(C)cc(=O)[nH]c2c1)n1cccc1
InChIInChI=1S/C19H21N3O2S/c1-13-11-18(23)21-16-12-14(5-6-15(13)16)20-19(24)17(7-10-25-2)22-8-3-4-9-22/h3-6,8-9,11-12,17H,7,10H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyMUKVEXOLHCDTII-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.57
Rot. Bonds6

About N-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide

N-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide (PubChem CID 121238974) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
PubChem CID121238974
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
SMILESCSCCC(C(=O)Nc1ccc2c(C)cc(=O)[nH]c2c1)n1cccc1
InChIInChI=1S/C19H21N3O2S/c1-13-11-18(23)21-16-12-14(5-6-15(13)16)20-19(24)17(7-10-25-2)22-8-3-4-9-22/h3-6,8-9,11-12,17H,7,10H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyMUKVEXOLHCDTII-UHFFFAOYSA-N
XLogP3.57
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide
CID 126418132
4-methylsulfanyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylbutanamide
CID 121239448
N-(3-chloro-4-fluorophenyl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
CID 121240381
N-(4-methyl-2-oxo-1H-quinolin-7-yl)-6-pyrrol-1-ylhexanamide
CID 127254662
(2R)-N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
CID 125432303
4-methylsulfanyl-2-pyrrol-1-yl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]butanamide
CID 121238787
(2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 125431705
4-methylsulfanyl-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]butanamide
CID 121239991
(2R)-4-methylsulfanyl-N-[3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-2-pyrrol-1-ylbutanamide
CID 126417513
3-(fluoroamino)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-oxohexanamide
CID 143418586
4-methylsulfanyl-2-pyrrol-1-yl-N-quinolin-5-ylbutanamide
CID 121240187
N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide
CID 10715191

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide?
The IUPAC name of N-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide (CID 121238974) is N-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide.
What is the SMILES notation for N-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide?
The canonical SMILES for N-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide is CSCCC(C(=O)Nc1ccc2c(C)cc(=O)[nH]c2c1)n1cccc1.
What is the InChIKey of N-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide?
The InChIKey is MUKVEXOLHCDTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13-11-18(23)21-16-12-14(5-6-15(13)16)20-19(24)17(7-10-25-2)22-8-3-4-9-22/h3-6,8-9,11-12,17H,7,10H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide?
N-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide has a molecular weight of 355.46 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide is sourced from PubChem (CID 121238974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).