6-butyl-4-chloro-7-phenylmethoxyquinoline

C20H20ClNO — CID 22641406

IUPAC6-butyl-4-chloro-7-phenylmethoxyquinoline
SMILESCCCCc1cc2c(Cl)ccnc2cc1OCc1ccccc1
InChIInChI=1S/C20H20ClNO/c1-2-3-9-16-12-17-18(21)10-11-22-19(17)13-20(16)23-14-15-7-5-4-6-8-15/h4-8,10-13H,2-3,9,14H2,1H3
InChIKeySIDGUGJNPMYUBO-UHFFFAOYSA-N
MW325.84 g/mol
LogP5.81
Rot. Bonds6

About 6-butyl-4-chloro-7-phenylmethoxyquinoline

6-butyl-4-chloro-7-phenylmethoxyquinoline (PubChem CID 22641406) has the molecular formula C20H20ClNO and a molecular weight of 325.84 g/mol. Its IUPAC name is 6-butyl-4-chloro-7-phenylmethoxyquinoline.

Molecular Properties

Compound Name6-butyl-4-chloro-7-phenylmethoxyquinoline
PubChem CID22641406
Molecular FormulaC20H20ClNO
Molecular Weight325.84 g/mol
Exact Mass325.12
IUPAC Name6-butyl-4-chloro-7-phenylmethoxyquinoline
SMILESCCCCc1cc2c(Cl)ccnc2cc1OCc1ccccc1
InChIInChI=1S/C20H20ClNO/c1-2-3-9-16-12-17-18(21)10-11-22-19(17)13-20(16)23-14-15-7-5-4-6-8-15/h4-8,10-13H,2-3,9,14H2,1H3
InChIKeySIDGUGJNPMYUBO-UHFFFAOYSA-N
XLogP5.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.84
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-butyl-7-phenylmethoxyquinoline-3,4-dicarbonitrile
CID 141484176
4-chloro-6-phenylmethoxyquinoline
CID 23078431
7-ethoxy-4-methyl-6-phenylmethoxyquinoline
CID 146508381
1-butyl-4-phenylmethoxy-2-propoxybenzene
CID 139774121
[4-(4-amino-3-chlorophenoxy)-7-phenylmethoxyquinolin-6-yl]methanol
CID 89377978
4-chloro-7-(2-phenylethoxy)quinoline
CID 78324294
4-phenylmethoxyquinoline
CID 11299312
4-chloro-6-fluoro-2-methyl-7-phenylmethoxyquinoline
CID 22641319
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
4-butyl-8-methyl-7-phenylmethoxychromen-2-one
CID 2902407
1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene
CID 139826646
tributyl-(2-phenylmethoxy-4-pyridinyl)stannane
CID 11554668

Frequently Asked Questions

What is the IUPAC name of 6-butyl-4-chloro-7-phenylmethoxyquinoline?
The IUPAC name of 6-butyl-4-chloro-7-phenylmethoxyquinoline (CID 22641406) is 6-butyl-4-chloro-7-phenylmethoxyquinoline.
What is the SMILES notation for 6-butyl-4-chloro-7-phenylmethoxyquinoline?
The canonical SMILES for 6-butyl-4-chloro-7-phenylmethoxyquinoline is CCCCc1cc2c(Cl)ccnc2cc1OCc1ccccc1.
What is the InChIKey of 6-butyl-4-chloro-7-phenylmethoxyquinoline?
The InChIKey is SIDGUGJNPMYUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO/c1-2-3-9-16-12-17-18(21)10-11-22-19(17)13-20(16)23-14-15-7-5-4-6-8-15/h4-8,10-13H,2-3,9,14H2,1H3.
What are the key properties of 6-butyl-4-chloro-7-phenylmethoxyquinoline?
6-butyl-4-chloro-7-phenylmethoxyquinoline has a molecular weight of 325.84 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4-chloro-7-phenylmethoxyquinoline is sourced from PubChem (CID 22641406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).