2-(3-chloropropyl)morpholine;quinoline

C16H21ClN2O — CID 174868921

IUPAC2-(3-chloropropyl)morpholine;quinoline
SMILESClCCCC1CNCCO1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H14ClNO/c1-2-6-9-8(4-1)5-3-7-10-9;8-3-1-2-7-6-9-4-5-10-7/h1-7H;7,9H,1-6H2
InChIKeyBVOVJARZUSPSKR-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.23
Rot. Bonds3

About 2-(3-chloropropyl)morpholine;quinoline

2-(3-chloropropyl)morpholine;quinoline (PubChem CID 174868921) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-(3-chloropropyl)morpholine;quinoline.

Molecular Properties

Compound Name2-(3-chloropropyl)morpholine;quinoline
PubChem CID174868921
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name2-(3-chloropropyl)morpholine;quinoline
SMILESClCCCC1CNCCO1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H14ClNO/c1-2-6-9-8(4-1)5-3-7-10-9;8-3-1-2-7-6-9-4-5-10-7/h1-7H;7,9H,1-6H2
InChIKeyBVOVJARZUSPSKR-UHFFFAOYSA-N
XLogP3.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-Chloro-4-(4-morpholinyl)quinoline
CID 962643
4-(7-Chloroquinolin-4-yl)-2,6-dimethylmorpholine
CID 4788966
7-chloro-N-(2-morpholinoethyl)quinolin-4-amine
CID 9926053
7-chloro-N-[2-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]ethyl]quinolin-4-amine
CID 10576348
7-chloro-N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]quinolin-4-amine
CID 10622386
18-Oxa-15,21-diaza-1,7-diazoniapentacyclo[20.6.2.27,14.08,13.023,28]dotriaconta-1(29),7(32),8,10,12,14(31),22(30),23,25,27-decaene diiodide
CID 67722872
N-(3-morpholin-4-ylpropyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 44307706
4-Oxa-15,21-diaza-1,7-diazoniapentacyclo[20.6.2.27,14.08,13.023,28]dotriaconta-1(29),7(32),8,10,12,14(31),22(30),23,25,27-decaene dibromide
CID 72197877
7-chloro-N-[(2S)-5-morpholin-4-ylpentan-2-yl]quinolin-4-amine
CID 92163309
7-chloro-N-[(2R)-5-morpholin-4-ylpentan-2-yl]quinolin-4-amine
CID 92856033
7-chloro-N-[4-(4-morpholinylmethyl)phenyl]-4-quinolinamine formate
CID 145951050
6-chloro-N-(4-morpholin-4-ylbutyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
CID 162646097

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)morpholine;quinoline?
The IUPAC name of 2-(3-chloropropyl)morpholine;quinoline (CID 174868921) is 2-(3-chloropropyl)morpholine;quinoline.
What is the SMILES notation for 2-(3-chloropropyl)morpholine;quinoline?
The canonical SMILES for 2-(3-chloropropyl)morpholine;quinoline is ClCCCC1CNCCO1.c1ccc2ncccc2c1.
What is the InChIKey of 2-(3-chloropropyl)morpholine;quinoline?
The InChIKey is BVOVJARZUSPSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C7H14ClNO/c1-2-6-9-8(4-1)5-3-7-10-9;8-3-1-2-7-6-9-4-5-10-7/h1-7H;7,9H,1-6H2.
What are the key properties of 2-(3-chloropropyl)morpholine;quinoline?
2-(3-chloropropyl)morpholine;quinoline has a molecular weight of 292.81 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)morpholine;quinoline is sourced from PubChem (CID 174868921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).