(1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-amine

C18H21N3 — CID 5405805

IUPAC(1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-amine
SMILESCc1nc2c(c3c1[nH]c1ccccc13)[C@@H](N)CC(C)(C)C2
InChIInChI=1S/C18H21N3/c1-10-17-15(11-6-4-5-7-13(11)21-17)16-12(19)8-18(2,3)9-14(16)20-10/h4-7,12,21H,8-9,19H2,1-3H3/t12-/m0/s1
InChIKeyKNOJYWPMDFQPCP-LBPRGKRZSA-N
MW279.39 g/mol
LogP4.00
Rot. Bonds

About (1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-amine

(1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-amine (PubChem CID 5405805) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is (1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-amine.

Molecular Properties

Compound Name(1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-amine
PubChem CID5405805
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name(1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-amine
SMILESCc1nc2c(c3c1[nH]c1ccccc13)[C@@H](N)CC(C)(C)C2
InChIInChI=1S/C18H21N3/c1-10-17-15(11-6-4-5-7-13(11)21-17)16-12(19)8-18(2,3)9-14(16)20-10/h4-7,12,21H,8-9,19H2,1-3H3/t12-/m0/s1
InChIKeyKNOJYWPMDFQPCP-LBPRGKRZSA-N
XLogP4.00
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-amine?
The IUPAC name of (1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-amine (CID 5405805) is (1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-amine.
What is the SMILES notation for (1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-amine?
The canonical SMILES for (1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-amine is Cc1nc2c(c3c1[nH]c1ccccc13)[C@@H](N)CC(C)(C)C2.
What is the InChIKey of (1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-amine?
The InChIKey is KNOJYWPMDFQPCP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21N3/c1-10-17-15(11-6-4-5-7-13(11)21-17)16-12(19)8-18(2,3)9-14(16)20-10/h4-7,12,21H,8-9,19H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-amine?
(1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-amine has a molecular weight of 279.39 g/mol, XLogP of 4.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-amine is sourced from PubChem (CID 5405805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).