N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(7-methylquinolin-4-yl)piperazine-1-carboxamide

C23H24N4O3 — CID 142847510

IUPACN-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(7-methylquinolin-4-yl)piperazine-1-carboxamide
SMILESCc1ccc2c(N3CCN(C(=O)Nc4cccc5c4OCCO5)CC3)ccnc2c1
InChIInChI=1S/C23H24N4O3/c1-16-5-6-17-19(15-16)24-8-7-20(17)26-9-11-27(12-10-26)23(28)25-18-3-2-4-21-22(18)30-14-13-29-21/h2-8,15H,9-14H2,1H3,(H,25,28)
InChIKeyUMHIOSKANBGCEB-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.67
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(7-methylquinolin-4-yl)piperazine-1-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(7-methylquinolin-4-yl)piperazine-1-carboxamide (PubChem CID 142847510) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(7-methylquinolin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(7-methylquinolin-4-yl)piperazine-1-carboxamide
PubChem CID142847510
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(7-methylquinolin-4-yl)piperazine-1-carboxamide
SMILESCc1ccc2c(N3CCN(C(=O)Nc4cccc5c4OCCO5)CC3)ccnc2c1
InChIInChI=1S/C23H24N4O3/c1-16-5-6-17-19(15-16)24-8-7-20(17)26-9-11-27(12-10-26)23(28)25-18-3-2-4-21-22(18)30-14-13-29-21/h2-8,15H,9-14H2,1H3,(H,25,28)
InChIKeyUMHIOSKANBGCEB-UHFFFAOYSA-N
XLogP3.67
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(7-methylquinolin-4-yl)piperazine-1-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

4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 21101797
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-piperidin-1-ylpiperidine-1-carboxamide
CID 71938980
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 119041204
N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113111498
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71974305
4-(7-chloroquinolin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 134142480
(3S,4S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylcarbamoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122077295
N-(4-phenoxyphenyl)-4-[7-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide
CID 11283270
N-(2,5-dimethylphenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 23829397
2-[[4-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]ethanol
CID 163815086
(4-chlorophenyl)-[(3S)-3-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone
CID 143257021
N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide
CID 15033690

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(7-methylquinolin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(7-methylquinolin-4-yl)piperazine-1-carboxamide (CID 142847510) is N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(7-methylquinolin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(7-methylquinolin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(7-methylquinolin-4-yl)piperazine-1-carboxamide is Cc1ccc2c(N3CCN(C(=O)Nc4cccc5c4OCCO5)CC3)ccnc2c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(7-methylquinolin-4-yl)piperazine-1-carboxamide?
The InChIKey is UMHIOSKANBGCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-16-5-6-17-19(15-16)24-8-7-20(17)26-9-11-27(12-10-26)23(28)25-18-3-2-4-21-22(18)30-14-13-29-21/h2-8,15H,9-14H2,1H3,(H,25,28).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(7-methylquinolin-4-yl)piperazine-1-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(7-methylquinolin-4-yl)piperazine-1-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(7-methylquinolin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 142847510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).