(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)-quinolin-2-ylmethanone

C26H26N4O — CID 110197577

IUPAC(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)-quinolin-2-ylmethanone
SMILESCN1CCc2c([nH]c3ccccc23)C12CCN(C(=O)c1ccc3ccccc3n1)CC2
InChIInChI=1S/C26H26N4O/c1-29-15-12-20-19-7-3-5-9-22(19)28-24(20)26(29)13-16-30(17-14-26)25(31)23-11-10-18-6-2-4-8-21(18)27-23/h2-11,28H,12-17H2,1H3
InChIKeyHZULQSZJTMXJNO-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.34
Rot. Bonds1

About (2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)-quinolin-2-ylmethanone

(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)-quinolin-2-ylmethanone (PubChem CID 110197577) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is (2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)-quinolin-2-ylmethanone.

Molecular Properties

Compound Name(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)-quinolin-2-ylmethanone
PubChem CID110197577
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)-quinolin-2-ylmethanone
SMILESCN1CCc2c([nH]c3ccccc23)C12CCN(C(=O)c1ccc3ccccc3n1)CC2
InChIInChI=1S/C26H26N4O/c1-29-15-12-20-19-7-3-5-9-22(19)28-24(20)26(29)13-16-30(17-14-26)25(31)23-11-10-18-6-2-4-8-21(18)27-23/h2-11,28H,12-17H2,1H3
InChIKeyHZULQSZJTMXJNO-UHFFFAOYSA-N
XLogP4.34
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)-quinolin-2-ylmethanone?
The IUPAC name of (2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)-quinolin-2-ylmethanone (CID 110197577) is (2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)-quinolin-2-ylmethanone.
What is the SMILES notation for (2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)-quinolin-2-ylmethanone?
The canonical SMILES for (2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)-quinolin-2-ylmethanone is CN1CCc2c([nH]c3ccccc23)C12CCN(C(=O)c1ccc3ccccc3n1)CC2.
What is the InChIKey of (2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)-quinolin-2-ylmethanone?
The InChIKey is HZULQSZJTMXJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-29-15-12-20-19-7-3-5-9-22(19)28-24(20)26(29)13-16-30(17-14-26)25(31)23-11-10-18-6-2-4-8-21(18)27-23/h2-11,28H,12-17H2,1H3.
What are the key properties of (2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)-quinolin-2-ylmethanone?
(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)-quinolin-2-ylmethanone has a molecular weight of 410.52 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)-quinolin-2-ylmethanone is sourced from PubChem (CID 110197577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).