[4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone

C26H27N3OS — CID 55901268

IUPAC[4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone
SMILESO=C(c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2)N1CCN(CC2CC2)CC1
InChIInChI=1S/C26H27N3OS/c30-26(29-13-11-28(12-14-29)17-18-7-8-18)24-21-5-1-2-6-23(21)27-25-19(9-10-22(24)25)16-20-4-3-15-31-20/h1-6,15-16,18H,7-14,17H2/b19-16-
InChIKeyMFKXIWYSVXAQOG-MNDPQUGUSA-N
MW429.59 g/mol
LogP4.95
Rot. Bonds4

About [4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone

[4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone (PubChem CID 55901268) has the molecular formula C26H27N3OS and a molecular weight of 429.59 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone
PubChem CID55901268
Molecular FormulaC26H27N3OS
Molecular Weight429.59 g/mol
Exact Mass429.19
IUPAC Name[4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone
SMILESO=C(c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2)N1CCN(CC2CC2)CC1
InChIInChI=1S/C26H27N3OS/c30-26(29-13-11-28(12-14-29)17-18-7-8-18)24-21-5-1-2-6-23(21)27-25-19(9-10-22(24)25)16-20-4-3-15-31-20/h1-6,15-16,18H,7-14,17H2/b19-16-
InChIKeyMFKXIWYSVXAQOG-MNDPQUGUSA-N
XLogP4.95
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenylpiperazin-1-yl)-[(3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone
CID 55555498
N-[[1-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]piperidin-4-yl]methyl]acetamide
CID 55781255
naphthalen-1-ylmethyl 3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 4619663
N-(2-methylsulfonylethyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 71886944
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 26918338
[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone
CID 56575832
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 3908960
(2-oxooxolan-3-yl) 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 4310835
(2-chloro-6-fluorophenyl)methyl 3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 3670685
(4E)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
CID 6055200
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 3910478
cyanomethyl (4Z)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 7454716

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone?
The IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone (CID 55901268) is [4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone.
What is the SMILES notation for [4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone?
The canonical SMILES for [4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone is O=C(c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2)N1CCN(CC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone?
The InChIKey is MFKXIWYSVXAQOG-MNDPQUGUSA-N. The full InChI is InChI=1S/C26H27N3OS/c30-26(29-13-11-28(12-14-29)17-18-7-8-18)24-21-5-1-2-6-23(21)27-25-19(9-10-22(24)25)16-20-4-3-15-31-20/h1-6,15-16,18H,7-14,17H2/b19-16-.
What are the key properties of [4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone?
[4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone has a molecular weight of 429.59 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethyl)piperazin-1-yl]-[(3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone is sourced from PubChem (CID 55901268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).