(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone

C28H27ClN4O2 — CID 108809752

IUPAC(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
SMILESCOc1cccc2c(C)cc(N3CCN(C(=O)c4c5c(nc6ccc(Cl)cc46)CCC5)CC3)nc12
InChIInChI=1S/C28H27ClN4O2/c1-17-15-25(31-27-19(17)5-4-8-24(27)35-2)32-11-13-33(14-12-32)28(34)26-20-6-3-7-22(20)30-23-10-9-18(29)16-21(23)26/h4-5,8-10,15-16H,3,6-7,11-14H2,1-2H3
InChIKeyKDURLMRPNFRSRB-UHFFFAOYSA-N
MW487.00 g/mol
LogP5.20
Rot. Bonds3

About (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone

(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone (PubChem CID 108809752) has the molecular formula C28H27ClN4O2 and a molecular weight of 487.00 g/mol. Its IUPAC name is (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
PubChem CID108809752
Molecular FormulaC28H27ClN4O2
Molecular Weight487.00 g/mol
Exact Mass486.18
IUPAC Name(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
SMILESCOc1cccc2c(C)cc(N3CCN(C(=O)c4c5c(nc6ccc(Cl)cc46)CCC5)CC3)nc12
InChIInChI=1S/C28H27ClN4O2/c1-17-15-25(31-27-19(17)5-4-8-24(27)35-2)32-11-13-33(14-12-32)28(34)26-20-6-3-7-22(20)30-23-10-9-18(29)16-21(23)26/h4-5,8-10,15-16H,3,6-7,11-14H2,1-2H3
InChIKeyKDURLMRPNFRSRB-UHFFFAOYSA-N
XLogP5.20
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.00
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108764370
(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108809734
1-(5-chloro-2-methoxyphenyl)-4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]butane-1,4-dione
CID 108741931
(2-iodophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108764373
(4-chloro-3-nitrophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108741823
3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 108741818
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 108754711
3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 108741817
3-bromo-1-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one
CID 108741927
(3,4-dimethoxyphenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108754706
8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid
CID 75464988
2-(4-chloro-3-methylphenoxy)-1-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]ethanone
CID 108764433

Frequently Asked Questions

What is the IUPAC name of (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone (CID 108809752) is (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone is COc1cccc2c(C)cc(N3CCN(C(=O)c4c5c(nc6ccc(Cl)cc46)CCC5)CC3)nc12.
What is the InChIKey of (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone?
The InChIKey is KDURLMRPNFRSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN4O2/c1-17-15-25(31-27-19(17)5-4-8-24(27)35-2)32-11-13-33(14-12-32)28(34)26-20-6-3-7-22(20)30-23-10-9-18(29)16-21(23)26/h4-5,8-10,15-16H,3,6-7,11-14H2,1-2H3.
What are the key properties of (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone?
(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone has a molecular weight of 487.00 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 108809752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).