N,N-dimethyl-3-(9-propan-2-yloxy-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)propan-1-amine

C23H31N3O — CID 175744669

IUPACN,N-dimethyl-3-(9-propan-2-yloxy-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)propan-1-amine
SMILESCC(C)Oc1ccc2c(c1)c1cc3c(nc1n2CCCN(C)C)CCCC3
InChIInChI=1S/C23H31N3O/c1-16(2)27-18-10-11-22-19(15-18)20-14-17-8-5-6-9-21(17)24-23(20)26(22)13-7-12-25(3)4/h10-11,14-16H,5-9,12-13H2,1-4H3
InChIKeyCMMJEEPQJPOSQT-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.81
Rot. Bonds6

About N,N-dimethyl-3-(9-propan-2-yloxy-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)propan-1-amine

N,N-dimethyl-3-(9-propan-2-yloxy-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)propan-1-amine (PubChem CID 175744669) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N,N-dimethyl-3-(9-propan-2-yloxy-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(9-propan-2-yloxy-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)propan-1-amine
PubChem CID175744669
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN,N-dimethyl-3-(9-propan-2-yloxy-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)propan-1-amine
SMILESCC(C)Oc1ccc2c(c1)c1cc3c(nc1n2CCCN(C)C)CCCC3
InChIInChI=1S/C23H31N3O/c1-16(2)27-18-10-11-22-19(15-18)20-14-17-8-5-6-9-21(17)24-23(20)26(22)13-7-12-25(3)4/h10-11,14-16H,5-9,12-13H2,1-4H3
InChIKeyCMMJEEPQJPOSQT-UHFFFAOYSA-N
XLogP4.81
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(9-propan-2-yloxy-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(9-propan-2-yloxy-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)propan-1-amine (CID 175744669) is N,N-dimethyl-3-(9-propan-2-yloxy-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(9-propan-2-yloxy-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(9-propan-2-yloxy-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)propan-1-amine is CC(C)Oc1ccc2c(c1)c1cc3c(nc1n2CCCN(C)C)CCCC3.
What is the InChIKey of N,N-dimethyl-3-(9-propan-2-yloxy-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)propan-1-amine?
The InChIKey is CMMJEEPQJPOSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-16(2)27-18-10-11-22-19(15-18)20-14-17-8-5-6-9-21(17)24-23(20)26(22)13-7-12-25(3)4/h10-11,14-16H,5-9,12-13H2,1-4H3.
What are the key properties of N,N-dimethyl-3-(9-propan-2-yloxy-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)propan-1-amine?
N,N-dimethyl-3-(9-propan-2-yloxy-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)propan-1-amine has a molecular weight of 365.52 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(9-propan-2-yloxy-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)propan-1-amine is sourced from PubChem (CID 175744669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).