3-(2-chloro-7-ethoxyquinolin-3-yl)propan-1-amine

C14H17ClN2O — CID 170868054

IUPAC3-(2-chloro-7-ethoxyquinolin-3-yl)propan-1-amine
SMILESCCOc1ccc2cc(CCCN)c(Cl)nc2c1
InChIInChI=1S/C14H17ClN2O/c1-2-18-12-6-5-10-8-11(4-3-7-16)14(15)17-13(10)9-12/h5-6,8-9H,2-4,7,16H2,1H3
InChIKeyTYGVLEOUCYNNSV-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.18
Rot. Bonds5

About 3-(2-chloro-7-ethoxyquinolin-3-yl)propan-1-amine

3-(2-chloro-7-ethoxyquinolin-3-yl)propan-1-amine (PubChem CID 170868054) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 3-(2-chloro-7-ethoxyquinolin-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-7-ethoxyquinolin-3-yl)propan-1-amine
PubChem CID170868054
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name3-(2-chloro-7-ethoxyquinolin-3-yl)propan-1-amine
SMILESCCOc1ccc2cc(CCCN)c(Cl)nc2c1
InChIInChI=1S/C14H17ClN2O/c1-2-18-12-6-5-10-8-11(4-3-7-16)14(15)17-13(10)9-12/h5-6,8-9H,2-4,7,16H2,1H3
InChIKeyTYGVLEOUCYNNSV-UHFFFAOYSA-N
XLogP3.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-7-ethoxy-3-methylquinoline
CID 145082192
3-(7-ethoxynaphthalen-1-yl)propan-1-amine
CID 19085994
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663
methyl 2-chloro-7-ethoxyquinoline-3-carboxylate
CID 119054864
3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82334661
2-chloro-6-ethoxy-3-methylquinoxaline
CID 133062262
2-(6-ethoxynaphthalen-2-yl)ethanamine
CID 170888283
7-ethoxy-2-iodoquinoline
CID 133063492
2-(2-chloro-7-methoxyquinolin-3-yl)ethyl carbamimidothioate
CID 4736776
2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrochloride
CID 88770124
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine
CID 60921581
2-chloro-6-methoxy-3-propylquinoline
CID 63231530

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-7-ethoxyquinolin-3-yl)propan-1-amine?
The IUPAC name of 3-(2-chloro-7-ethoxyquinolin-3-yl)propan-1-amine (CID 170868054) is 3-(2-chloro-7-ethoxyquinolin-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2-chloro-7-ethoxyquinolin-3-yl)propan-1-amine?
The canonical SMILES for 3-(2-chloro-7-ethoxyquinolin-3-yl)propan-1-amine is CCOc1ccc2cc(CCCN)c(Cl)nc2c1.
What is the InChIKey of 3-(2-chloro-7-ethoxyquinolin-3-yl)propan-1-amine?
The InChIKey is TYGVLEOUCYNNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-2-18-12-6-5-10-8-11(4-3-7-16)14(15)17-13(10)9-12/h5-6,8-9H,2-4,7,16H2,1H3.
What are the key properties of 3-(2-chloro-7-ethoxyquinolin-3-yl)propan-1-amine?
3-(2-chloro-7-ethoxyquinolin-3-yl)propan-1-amine has a molecular weight of 264.76 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-7-ethoxyquinolin-3-yl)propan-1-amine is sourced from PubChem (CID 170868054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).