2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine

C16H14ClN3 — CID 105157445

IUPAC2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine
SMILESNC(Cc1ccncc1Cl)c1ccnc2ccccc12
InChIInChI=1S/C16H14ClN3/c17-14-10-19-7-5-11(14)9-15(18)12-6-8-20-16-4-2-1-3-13(12)16/h1-8,10,15H,9,18H2
InChIKeyKYXDPRNJEFJIGC-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.53
Rot. Bonds3

About 2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine

2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine (PubChem CID 105157445) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine
PubChem CID105157445
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine
SMILESNC(Cc1ccncc1Cl)c1ccnc2ccccc12
InChIInChI=1S/C16H14ClN3/c17-14-10-19-7-5-11(14)9-15(18)12-6-8-20-16-4-2-1-3-13(12)16/h1-8,10,15H,9,18H2
InChIKeyKYXDPRNJEFJIGC-UHFFFAOYSA-N
XLogP3.53
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine
CID 105065744
2-(4-bromophenyl)-1-quinolin-4-ylethanamine
CID 105089328
1-(2-iodophenyl)-2-quinolin-4-ylethanamine
CID 104997408
1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine
CID 104997404
2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine
CID 82787833
2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine
CID 81227860
2-(3-chloro-4-pyridinyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103127460
(2-chlorophenyl)-quinolin-4-ylmethanamine
CID 105099870
(3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine
CID 105182016
2-(5-bromothiophen-2-yl)-1-quinolin-4-ylethanamine
CID 105134776
1-(2,3-difluorophenyl)-2-quinolin-4-ylethanamine
CID 104997384
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine
CID 112655409

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine (CID 105157445) is 2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine is NC(Cc1ccncc1Cl)c1ccnc2ccccc12.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine?
The InChIKey is KYXDPRNJEFJIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c17-14-10-19-7-5-11(14)9-15(18)12-6-8-20-16-4-2-1-3-13(12)16/h1-8,10,15H,9,18H2.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine?
2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine has a molecular weight of 283.76 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine is sourced from PubChem (CID 105157445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).