4-[1-[6-chloro-2-(2-methoxyphenyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine

C30H30ClN3O2 — CID 50940454

IUPAC4-[1-[6-chloro-2-(2-methoxyphenyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCOc1ccccc1-c1cc(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c2cc(Cl)ccc2n1
InChIInChI=1S/C30H30ClN3O2/c1-30(2)19-34(28-17-21(9-10-24(28)30)33-12-14-36-15-13-33)27-18-26(22-6-4-5-7-29(22)35-3)32-25-11-8-20(31)16-23(25)27/h4-11,16-18H,12-15,19H2,1-3H3
InChIKeyWBYPJZXSBFIPNY-UHFFFAOYSA-N
MW500.04 g/mol
LogP6.83
Rot. Bonds4

About 4-[1-[6-chloro-2-(2-methoxyphenyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine

4-[1-[6-chloro-2-(2-methoxyphenyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine (PubChem CID 50940454) has the molecular formula C30H30ClN3O2 and a molecular weight of 500.04 g/mol. Its IUPAC name is 4-[1-[6-chloro-2-(2-methoxyphenyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-[6-chloro-2-(2-methoxyphenyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
PubChem CID50940454
Molecular FormulaC30H30ClN3O2
Molecular Weight500.04 g/mol
Exact Mass499.20
IUPAC Name4-[1-[6-chloro-2-(2-methoxyphenyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCOc1ccccc1-c1cc(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c2cc(Cl)ccc2n1
InChIInChI=1S/C30H30ClN3O2/c1-30(2)19-34(28-17-21(9-10-24(28)30)33-12-14-36-15-13-33)27-18-26(22-6-4-5-7-29(22)35-3)32-25-11-8-20(31)16-23(25)27/h4-11,16-18H,12-15,19H2,1-3H3
InChIKeyWBYPJZXSBFIPNY-UHFFFAOYSA-N
XLogP6.83
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.04
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-chloro-2-(2-methoxyphenyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The IUPAC name of 4-[1-[6-chloro-2-(2-methoxyphenyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine (CID 50940454) is 4-[1-[6-chloro-2-(2-methoxyphenyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine.
What is the SMILES notation for 4-[1-[6-chloro-2-(2-methoxyphenyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The canonical SMILES for 4-[1-[6-chloro-2-(2-methoxyphenyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine is COc1ccccc1-c1cc(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c2cc(Cl)ccc2n1.
What is the InChIKey of 4-[1-[6-chloro-2-(2-methoxyphenyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The InChIKey is WBYPJZXSBFIPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClN3O2/c1-30(2)19-34(28-17-21(9-10-24(28)30)33-12-14-36-15-13-33)27-18-26(22-6-4-5-7-29(22)35-3)32-25-11-8-20(31)16-23(25)27/h4-11,16-18H,12-15,19H2,1-3H3.
What are the key properties of 4-[1-[6-chloro-2-(2-methoxyphenyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
4-[1-[6-chloro-2-(2-methoxyphenyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine has a molecular weight of 500.04 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-chloro-2-(2-methoxyphenyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine is sourced from PubChem (CID 50940454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).