[4-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone

C30H29Cl2N5O3S — CID 4987132

IUPAC[4-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone
SMILESCOc1cc(C(=O)N2CCC(c3nc(C(=O)N4CCN(c5ccc(Cl)c(Cl)c5)CC4)cs3)CC2)nc2ccccc12
InChIInChI=1S/C30H29Cl2N5O3S/c1-40-27-17-25(33-24-5-3-2-4-21(24)27)29(38)36-10-8-19(9-11-36)28-34-26(18-41-28)30(39)37-14-12-35(13-15-37)20-6-7-22(31)23(32)16-20/h2-7,16-19H,8-15H2,1H3
InChIKeyYQVIZJSYAKGMMD-UHFFFAOYSA-N
MW610.57 g/mol
LogP5.99
Rot. Bonds5

About [4-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone

[4-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone (PubChem CID 4987132) has the molecular formula C30H29Cl2N5O3S and a molecular weight of 610.57 g/mol. Its IUPAC name is [4-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone
PubChem CID4987132
Molecular FormulaC30H29Cl2N5O3S
Molecular Weight610.57 g/mol
Exact Mass609.14
IUPAC Name[4-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone
SMILESCOc1cc(C(=O)N2CCC(c3nc(C(=O)N4CCN(c5ccc(Cl)c(Cl)c5)CC4)cs3)CC2)nc2ccccc12
InChIInChI=1S/C30H29Cl2N5O3S/c1-40-27-17-25(33-24-5-3-2-4-21(24)27)29(38)36-10-8-19(9-11-36)28-34-26(18-41-28)30(39)37-14-12-35(13-15-37)20-6-7-22(31)23(32)16-20/h2-7,16-19H,8-15H2,1H3
InChIKeyYQVIZJSYAKGMMD-UHFFFAOYSA-N
XLogP5.99
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.57
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[4-[2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 4989478
[4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone
CID 4987285
1-[4-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3-phenylprop-2-yn-1-one
CID 23969396
N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3482109
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3816873
N-(3,4-difluorophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 5174799
2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 3860819
N-(3-carbamoyl-4-methylthiophen-2-yl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 23850800
N'-(4-ethylbenzoyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3863958
methyl 4-[[2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 3849804
2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-N-[4-(thiadiazol-4-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 3860822
N-(4-fluoro-3-nitrophenyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3801042

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone?
The IUPAC name of [4-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone (CID 4987132) is [4-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone.
What is the SMILES notation for [4-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone?
The canonical SMILES for [4-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone is COc1cc(C(=O)N2CCC(c3nc(C(=O)N4CCN(c5ccc(Cl)c(Cl)c5)CC4)cs3)CC2)nc2ccccc12.
What is the InChIKey of [4-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone?
The InChIKey is YQVIZJSYAKGMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29Cl2N5O3S/c1-40-27-17-25(33-24-5-3-2-4-21(24)27)29(38)36-10-8-19(9-11-36)28-34-26(18-41-28)30(39)37-14-12-35(13-15-37)20-6-7-22(31)23(32)16-20/h2-7,16-19H,8-15H2,1H3.
What are the key properties of [4-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone?
[4-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone has a molecular weight of 610.57 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone is sourced from PubChem (CID 4987132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).