3-chloro-8-methoxy-9-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-11H-indolo[3,2-c]quinoline

C27H31ClN4O — CID 10600162

IUPAC3-chloro-8-methoxy-9-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-11H-indolo[3,2-c]quinoline
SMILESCOc1cc2c(cc1CN1CCC(N3CCCCC3)CC1)[nH]c1c3ccc(Cl)cc3ncc21
InChIInChI=1S/C27H31ClN4O/c1-33-26-15-22-23-16-29-24-14-19(28)5-6-21(24)27(23)30-25(22)13-18(26)17-31-11-7-20(8-12-31)32-9-3-2-4-10-32/h5-6,13-16,20,30H,2-4,7-12,17H2,1H3
InChIKeyYVKARLAIQDZHTR-UHFFFAOYSA-N
MW463.03 g/mol
LogP5.98
Rot. Bonds4

About 3-chloro-8-methoxy-9-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-11H-indolo[3,2-c]quinoline

3-chloro-8-methoxy-9-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-11H-indolo[3,2-c]quinoline (PubChem CID 10600162) has the molecular formula C27H31ClN4O and a molecular weight of 463.03 g/mol. Its IUPAC name is 3-chloro-8-methoxy-9-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-11H-indolo[3,2-c]quinoline.

Molecular Properties

Compound Name3-chloro-8-methoxy-9-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-11H-indolo[3,2-c]quinoline
PubChem CID10600162
Molecular FormulaC27H31ClN4O
Molecular Weight463.03 g/mol
Exact Mass462.22
IUPAC Name3-chloro-8-methoxy-9-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-11H-indolo[3,2-c]quinoline
SMILESCOc1cc2c(cc1CN1CCC(N3CCCCC3)CC1)[nH]c1c3ccc(Cl)cc3ncc21
InChIInChI=1S/C27H31ClN4O/c1-33-26-15-22-23-16-29-24-14-19(28)5-6-21(24)27(23)30-25(22)13-18(26)17-31-11-7-20(8-12-31)32-9-3-2-4-10-32/h5-6,13-16,20,30H,2-4,7-12,17H2,1H3
InChIKeyYVKARLAIQDZHTR-UHFFFAOYSA-N
XLogP5.98
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.03
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-8-methoxy-9-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-11H-indolo[3,2-c]quinoline?
The IUPAC name of 3-chloro-8-methoxy-9-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-11H-indolo[3,2-c]quinoline (CID 10600162) is 3-chloro-8-methoxy-9-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-11H-indolo[3,2-c]quinoline.
What is the SMILES notation for 3-chloro-8-methoxy-9-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-11H-indolo[3,2-c]quinoline?
The canonical SMILES for 3-chloro-8-methoxy-9-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-11H-indolo[3,2-c]quinoline is COc1cc2c(cc1CN1CCC(N3CCCCC3)CC1)[nH]c1c3ccc(Cl)cc3ncc21.
What is the InChIKey of 3-chloro-8-methoxy-9-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-11H-indolo[3,2-c]quinoline?
The InChIKey is YVKARLAIQDZHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN4O/c1-33-26-15-22-23-16-29-24-14-19(28)5-6-21(24)27(23)30-25(22)13-18(26)17-31-11-7-20(8-12-31)32-9-3-2-4-10-32/h5-6,13-16,20,30H,2-4,7-12,17H2,1H3.
What are the key properties of 3-chloro-8-methoxy-9-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-11H-indolo[3,2-c]quinoline?
3-chloro-8-methoxy-9-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-11H-indolo[3,2-c]quinoline has a molecular weight of 463.03 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-methoxy-9-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-11H-indolo[3,2-c]quinoline is sourced from PubChem (CID 10600162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).