(1-methylpyrrol-2-yl)-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]methanone

C23H22N4OS — CID 24733554

IUPAC(1-methylpyrrol-2-yl)-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCN(c2ccc3cccc(-c4ccsc4)c3n2)CC1
InChIInChI=1S/C23H22N4OS/c1-25-10-3-6-20(25)23(28)27-13-11-26(12-14-27)21-8-7-17-4-2-5-19(22(17)24-21)18-9-15-29-16-18/h2-10,15-16H,11-14H2,1H3
InChIKeyAWTYVBYDZBUDOL-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.26
Rot. Bonds3

About (1-methylpyrrol-2-yl)-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]methanone

(1-methylpyrrol-2-yl)-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]methanone (PubChem CID 24733554) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]methanone
PubChem CID24733554
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC Name(1-methylpyrrol-2-yl)-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCN(c2ccc3cccc(-c4ccsc4)c3n2)CC1
InChIInChI=1S/C23H22N4OS/c1-25-10-3-6-20(25)23(28)27-13-11-26(12-14-27)21-8-7-17-4-2-5-19(22(17)24-21)18-9-15-29-16-18/h2-10,15-16H,11-14H2,1H3
InChIKeyAWTYVBYDZBUDOL-UHFFFAOYSA-N
XLogP4.26
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]ethanone
CID 24733547
N-ethyl-4-(8-pyrimidin-5-ylquinolin-2-yl)piperazine-1-carboxamide
CID 24733443
[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 112763018
[4-[8-(4-fluorophenyl)quinolin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 24733590
(1-methylpyrrol-2-yl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 91887736
8-(1-methylpyrrole-2-carbonyl)-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449913
[4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 100627053
ethyl 2-[[4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carbonyl]amino]acetate
CID 24733632
(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone
CID 146123880
1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one
CID 70775735
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 134062270
1-methyl-N-[[7-(thiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide
CID 97382142

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]methanone (CID 24733554) is (1-methylpyrrol-2-yl)-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]methanone is Cn1cccc1C(=O)N1CCN(c2ccc3cccc(-c4ccsc4)c3n2)CC1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]methanone?
The InChIKey is AWTYVBYDZBUDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-25-10-3-6-20(25)23(28)27-13-11-26(12-14-27)21-8-7-17-4-2-5-19(22(17)24-21)18-9-15-29-16-18/h2-10,15-16H,11-14H2,1H3.
What are the key properties of (1-methylpyrrol-2-yl)-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]methanone?
(1-methylpyrrol-2-yl)-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]methanone has a molecular weight of 402.52 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 24733554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).