(2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine

C15H14ClN3O — CID 71656987

IUPAC(2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine
SMILESClc1cnc2[nH]c3ccc([C@H]4CNCCO4)cc3c2c1
InChIInChI=1S/C15H14ClN3O/c16-10-6-12-11-5-9(14-8-17-3-4-20-14)1-2-13(11)19-15(12)18-7-10/h1-2,5-7,14,17H,3-4,8H2,(H,18,19)/t14-/m1/s1
InChIKeyDNBQZIWWZHDINZ-CQSZACIVSA-N
MW287.75 g/mol
LogP3.03
Rot. Bonds1

About (2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine

(2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine (PubChem CID 71656987) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is (2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine.

Molecular Properties

Compound Name(2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine
PubChem CID71656987
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name(2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine
SMILESClc1cnc2[nH]c3ccc([C@H]4CNCCO4)cc3c2c1
InChIInChI=1S/C15H14ClN3O/c16-10-6-12-11-5-9(14-8-17-3-4-20-14)1-2-13(11)19-15(12)18-7-10/h1-2,5-7,14,17H,3-4,8H2,(H,18,19)/t14-/m1/s1
InChIKeyDNBQZIWWZHDINZ-CQSZACIVSA-N
XLogP3.03
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine?
The IUPAC name of (2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine (CID 71656987) is (2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine.
What is the SMILES notation for (2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine?
The canonical SMILES for (2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine is Clc1cnc2[nH]c3ccc([C@H]4CNCCO4)cc3c2c1.
What is the InChIKey of (2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine?
The InChIKey is DNBQZIWWZHDINZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-10-6-12-11-5-9(14-8-17-3-4-20-14)1-2-13(11)19-15(12)18-7-10/h1-2,5-7,14,17H,3-4,8H2,(H,18,19)/t14-/m1/s1.
What are the key properties of (2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine?
(2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine has a molecular weight of 287.75 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)morpholine is sourced from PubChem (CID 71656987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).