4-(1-methylpiperidin-4-yl)-N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2-dihydroquinolin-7-amine

C29H37N5 — CID 138711421

IUPAC4-(1-methylpiperidin-4-yl)-N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2-dihydroquinolin-7-amine
SMILESCN1CCC(C2=CCNc3cc(Nc4ccc5c(C6CCN(C)CC6)c[nH]c5c4)ccc32)CC1
InChIInChI=1S/C29H37N5/c1-33-13-8-20(9-14-33)24-7-12-30-28-17-22(3-5-25(24)28)32-23-4-6-26-27(19-31-29(26)18-23)21-10-15-34(2)16-11-21/h3-7,17-21,30-32H,8-16H2,1-2H3
InChIKeyICAXDCHHDXAVBZ-UHFFFAOYSA-N
MW455.65 g/mol
LogP5.87
Rot. Bonds4

About 4-(1-methylpiperidin-4-yl)-N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2-dihydroquinolin-7-amine

4-(1-methylpiperidin-4-yl)-N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2-dihydroquinolin-7-amine (PubChem CID 138711421) has the molecular formula C29H37N5 and a molecular weight of 455.65 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)-N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2-dihydroquinolin-7-amine.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)-N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2-dihydroquinolin-7-amine
PubChem CID138711421
Molecular FormulaC29H37N5
Molecular Weight455.65 g/mol
Exact Mass455.30
IUPAC Name4-(1-methylpiperidin-4-yl)-N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2-dihydroquinolin-7-amine
SMILESCN1CCC(C2=CCNc3cc(Nc4ccc5c(C6CCN(C)CC6)c[nH]c5c4)ccc32)CC1
InChIInChI=1S/C29H37N5/c1-33-13-8-20(9-14-33)24-7-12-30-28-17-22(3-5-25(24)28)32-23-4-6-26-27(19-31-29(26)18-23)21-10-15-34(2)16-11-21/h3-7,17-21,30-32H,8-16H2,1-2H3
InChIKeyICAXDCHHDXAVBZ-UHFFFAOYSA-N
XLogP5.87
TPSA46.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.65
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)-N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2-dihydroquinolin-7-amine?
The IUPAC name of 4-(1-methylpiperidin-4-yl)-N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2-dihydroquinolin-7-amine (CID 138711421) is 4-(1-methylpiperidin-4-yl)-N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2-dihydroquinolin-7-amine.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)-N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2-dihydroquinolin-7-amine?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)-N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2-dihydroquinolin-7-amine is CN1CCC(C2=CCNc3cc(Nc4ccc5c(C6CCN(C)CC6)c[nH]c5c4)ccc32)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)-N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2-dihydroquinolin-7-amine?
The InChIKey is ICAXDCHHDXAVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5/c1-33-13-8-20(9-14-33)24-7-12-30-28-17-22(3-5-25(24)28)32-23-4-6-26-27(19-31-29(26)18-23)21-10-15-34(2)16-11-21/h3-7,17-21,30-32H,8-16H2,1-2H3.
What are the key properties of 4-(1-methylpiperidin-4-yl)-N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2-dihydroquinolin-7-amine?
4-(1-methylpiperidin-4-yl)-N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2-dihydroquinolin-7-amine has a molecular weight of 455.65 g/mol, XLogP of 5.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)-N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2-dihydroquinolin-7-amine is sourced from PubChem (CID 138711421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).