6-chloro-8-[4-[4-[(6-fluoroquinolin-8-yl)methyl]piperidin-1-yl]piperidin-1-yl]quinoline

C29H30ClFN4 — CID 143372542

IUPAC6-chloro-8-[4-[4-[(6-fluoroquinolin-8-yl)methyl]piperidin-1-yl]piperidin-1-yl]quinoline
SMILESFc1cc(CC2CCN(C3CCN(c4cc(Cl)cc5cccnc45)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C29H30ClFN4/c30-24-16-21-3-1-10-33-29(21)27(19-24)35-13-7-26(8-14-35)34-11-5-20(6-12-34)15-23-18-25(31)17-22-4-2-9-32-28(22)23/h1-4,9-10,16-20,26H,5-8,11-15H2
InChIKeyNXDPQADSLRQEIM-UHFFFAOYSA-N
MW489.04 g/mol
LogP6.50
Rot. Bonds4

About 6-chloro-8-[4-[4-[(6-fluoroquinolin-8-yl)methyl]piperidin-1-yl]piperidin-1-yl]quinoline

6-chloro-8-[4-[4-[(6-fluoroquinolin-8-yl)methyl]piperidin-1-yl]piperidin-1-yl]quinoline (PubChem CID 143372542) has the molecular formula C29H30ClFN4 and a molecular weight of 489.04 g/mol. Its IUPAC name is 6-chloro-8-[4-[4-[(6-fluoroquinolin-8-yl)methyl]piperidin-1-yl]piperidin-1-yl]quinoline.

Molecular Properties

Compound Name6-chloro-8-[4-[4-[(6-fluoroquinolin-8-yl)methyl]piperidin-1-yl]piperidin-1-yl]quinoline
PubChem CID143372542
Molecular FormulaC29H30ClFN4
Molecular Weight489.04 g/mol
Exact Mass488.21
IUPAC Name6-chloro-8-[4-[4-[(6-fluoroquinolin-8-yl)methyl]piperidin-1-yl]piperidin-1-yl]quinoline
SMILESFc1cc(CC2CCN(C3CCN(c4cc(Cl)cc5cccnc45)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C29H30ClFN4/c30-24-16-21-3-1-10-33-29(21)27(19-24)35-13-7-26(8-14-35)34-11-5-20(6-12-34)15-23-18-25(31)17-22-4-2-9-32-28(22)23/h1-4,9-10,16-20,26H,5-8,11-15H2
InChIKeyNXDPQADSLRQEIM-UHFFFAOYSA-N
XLogP6.50
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.04
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-8-[4-[4-[(6-fluoroquinolin-8-yl)methyl]piperidin-1-yl]piperidin-1-yl]quinoline with MolForge

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Related Compounds

Piperaquine
CID 122262
5-Chloro-1,10-phenanthroline
CID 77865
Dm-1157
CID 25208163
N-[2-[4-[bis(2-pyridyl)methylamino]-1-piperidyl]ethyl]-7-chloro-quinolin-4-amine
CID 25208011
7-Chloro-4-[4-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]piperazin-1-yl]quinoline;hydrochloride
CID 44522352
4-[4-(3,4-Dichlorophenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline
CID 73356423
7-Chloro-4-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]piperazin-1-yl]quinoline
CID 10744204
N,N-bis[(2-chloro-6-fluoroquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
CID 162651803
N,N-bis[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
CID 162643348
2-[[5-(4-chloro-2-methylphenyl)-2-pyridinyl]methyl]-5-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline
CID 162653157
N,N-bis[(2-chloroquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
CID 162676374
9-Chloro-1-(4-fluoro-phenyl)-2-methyl-1,4-dihydro-2H-3-thia-2,4,5-triaza-phenanthrene 3,3-dioxide
CID 68183275

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[4-[4-[(6-fluoroquinolin-8-yl)methyl]piperidin-1-yl]piperidin-1-yl]quinoline?
The IUPAC name of 6-chloro-8-[4-[4-[(6-fluoroquinolin-8-yl)methyl]piperidin-1-yl]piperidin-1-yl]quinoline (CID 143372542) is 6-chloro-8-[4-[4-[(6-fluoroquinolin-8-yl)methyl]piperidin-1-yl]piperidin-1-yl]quinoline.
What is the SMILES notation for 6-chloro-8-[4-[4-[(6-fluoroquinolin-8-yl)methyl]piperidin-1-yl]piperidin-1-yl]quinoline?
The canonical SMILES for 6-chloro-8-[4-[4-[(6-fluoroquinolin-8-yl)methyl]piperidin-1-yl]piperidin-1-yl]quinoline is Fc1cc(CC2CCN(C3CCN(c4cc(Cl)cc5cccnc45)CC3)CC2)c2ncccc2c1.
What is the InChIKey of 6-chloro-8-[4-[4-[(6-fluoroquinolin-8-yl)methyl]piperidin-1-yl]piperidin-1-yl]quinoline?
The InChIKey is NXDPQADSLRQEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClFN4/c30-24-16-21-3-1-10-33-29(21)27(19-24)35-13-7-26(8-14-35)34-11-5-20(6-12-34)15-23-18-25(31)17-22-4-2-9-32-28(22)23/h1-4,9-10,16-20,26H,5-8,11-15H2.
What are the key properties of 6-chloro-8-[4-[4-[(6-fluoroquinolin-8-yl)methyl]piperidin-1-yl]piperidin-1-yl]quinoline?
6-chloro-8-[4-[4-[(6-fluoroquinolin-8-yl)methyl]piperidin-1-yl]piperidin-1-yl]quinoline has a molecular weight of 489.04 g/mol, XLogP of 6.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[4-[4-[(6-fluoroquinolin-8-yl)methyl]piperidin-1-yl]piperidin-1-yl]quinoline is sourced from PubChem (CID 143372542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).