N-[(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine

C16H16ClN3S — CID 107361665

IUPACN-[(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1sccc1Cl)c1cccc2nccnc12
InChIInChI=1S/C16H16ClN3S/c1-2-7-19-15(16-12(17)6-10-21-16)11-4-3-5-13-14(11)20-9-8-18-13/h3-6,8-10,15,19H,2,7H2,1H3
InChIKeyYUAORBGTRPRWEK-UHFFFAOYSA-N
MW317.85 g/mol
LogP4.43
Rot. Bonds5

About N-[(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine

N-[(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine (PubChem CID 107361665) has the molecular formula C16H16ClN3S and a molecular weight of 317.85 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine
PubChem CID107361665
Molecular FormulaC16H16ClN3S
Molecular Weight317.85 g/mol
Exact Mass317.08
IUPAC NameN-[(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1sccc1Cl)c1cccc2nccnc12
InChIInChI=1S/C16H16ClN3S/c1-2-7-19-15(16-12(17)6-10-21-16)11-4-3-5-13-14(11)20-9-8-18-13/h3-6,8-10,15,19H,2,7H2,1H3
InChIKeyYUAORBGTRPRWEK-UHFFFAOYSA-N
XLogP4.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.85
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine
CID 105172958
N-[(2-chloro-3-fluorophenyl)-(3-chlorothiophen-2-yl)methyl]propan-1-amine
CID 81453511
N-[(3-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81477482
N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine
CID 80529572
N-[(2-bromophenyl)-(3-chlorothiophen-2-yl)methyl]propan-1-amine
CID 80529530
(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethanol
CID 107361966
N-[(5-methylthiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine
CID 105161984
N-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine
CID 105148549
N-[(3-chlorothiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 105018339
N-[(3-chlorothiophen-2-yl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 80529364
N-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 80528847
N-[(3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine
CID 107360108

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine (CID 107361665) is N-[(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine is CCCNC(c1sccc1Cl)c1cccc2nccnc12.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine?
The InChIKey is YUAORBGTRPRWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3S/c1-2-7-19-15(16-12(17)6-10-21-16)11-4-3-5-13-14(11)20-9-8-18-13/h3-6,8-10,15,19H,2,7H2,1H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine?
N-[(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine has a molecular weight of 317.85 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine is sourced from PubChem (CID 107361665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).