cyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone

C28H32N6O3 — CID 142581314

IUPACcyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESCOc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(N3CCN(c4ccncc4)CC3)c2c1
InChIInChI=1S/C28H32N6O3/c1-37-22-4-5-25-23(18-22)26(32-12-10-31(11-13-32)21-6-8-29-9-7-21)24(19-30-25)28(36)34-16-14-33(15-17-34)27(35)20-2-3-20/h4-9,18-20H,2-3,10-17H2,1H3
InChIKeyWBPURDWFRWKAGA-UHFFFAOYSA-N
MW500.60 g/mol
LogP2.66
Rot. Bonds5

About cyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone

cyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 142581314) has the molecular formula C28H32N6O3 and a molecular weight of 500.60 g/mol. Its IUPAC name is cyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone
PubChem CID142581314
Molecular FormulaC28H32N6O3
Molecular Weight500.60 g/mol
Exact Mass500.25
IUPAC Namecyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone
SMILESCOc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(N3CCN(c4ccncc4)CC3)c2c1
InChIInChI=1S/C28H32N6O3/c1-37-22-4-5-25-23(18-22)26(32-12-10-31(11-13-32)21-6-8-29-9-7-21)24(19-30-25)28(36)34-16-14-33(15-17-34)27(35)20-2-3-20/h4-9,18-20H,2-3,10-17H2,1H3
InChIKeyWBPURDWFRWKAGA-UHFFFAOYSA-N
XLogP2.66
TPSA82.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze cyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581331
[4-[4-[(3-amino-2-methylprop-2-enylidene)amino]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 174046509
[6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825152
cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344
(2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228487
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-hydroxyquinolin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 142581476
6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002458
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 142581437
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 142581319
cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581534
[4-[4-(3-azaspiro[5.5]undecan-3-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 142581654
cyclopropyl-[4-[6-fluoro-4-(4-hydroxy-4-phenylpiperidin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581260

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone (CID 142581314) is cyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone is COc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(N3CCN(c4ccncc4)CC3)c2c1.
What is the InChIKey of cyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone?
The InChIKey is WBPURDWFRWKAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O3/c1-37-22-4-5-25-23(18-22)26(32-12-10-31(11-13-32)21-6-8-29-9-7-21)24(19-30-25)28(36)34-16-14-33(15-17-34)27(35)20-2-3-20/h4-9,18-20H,2-3,10-17H2,1H3.
What are the key properties of cyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 500.60 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 142581314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).