2-ethyl-3-phenyl-5-prop-1-ynylquinoline

C20H17N — CID 145057543

IUPAC2-ethyl-3-phenyl-5-prop-1-ynylquinoline
SMILESCC#Cc1cccc2nc(CC)c(-c3ccccc3)cc12
InChIInChI=1S/C20H17N/c1-3-9-15-12-8-13-20-18(15)14-17(19(4-2)21-20)16-10-6-5-7-11-16/h5-8,10-14H,4H2,1-2H3
InChIKeyUFNHFRYXOZYKBL-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.84
Rot. Bonds2

About 2-ethyl-3-phenyl-5-prop-1-ynylquinoline

2-ethyl-3-phenyl-5-prop-1-ynylquinoline (PubChem CID 145057543) has the molecular formula C20H17N and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-ethyl-3-phenyl-5-prop-1-ynylquinoline.

Molecular Properties

Compound Name2-ethyl-3-phenyl-5-prop-1-ynylquinoline
PubChem CID145057543
Molecular FormulaC20H17N
Molecular Weight271.36 g/mol
Exact Mass271.14
IUPAC Name2-ethyl-3-phenyl-5-prop-1-ynylquinoline
SMILESCC#Cc1cccc2nc(CC)c(-c3ccccc3)cc12
InChIInChI=1S/C20H17N/c1-3-9-15-12-8-13-20-18(15)14-17(19(4-2)21-20)16-10-6-5-7-11-16/h5-8,10-14H,4H2,1-2H3
InChIKeyUFNHFRYXOZYKBL-UHFFFAOYSA-N
XLogP4.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,8-bis(prop-1-ynyl)anthracene
CID 122211067
6-ethyl-N-methyl-5-phenylpyridazin-3-amine
CID 79008561
2-[4-[(3-ethylquinoxalin-2-yl)methyl]phenyl]benzonitrile
CID 139631641
6-chloro-2-ethyl-3-methyl-4-phenylquinoline
CID 71419956
2-ethyl-4,6-diphenylpyridine-3-carbonitrile
CID 102404081
22-ethyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 129303440
4-ethylquinazolin-2-amine
CID 10352174
trimethyl-[2-[2-naphthalen-1-yl-3-[2-(2-trimethylsilylethynyl)azulen-1-yl]phenyl]ethynyl]silane
CID 164676030
2-benzyl-5,6,7-trimethoxy-3-phenylquinoline
CID 155930832
2-ethyl-3-phenyl-4-(trifluoromethyl)quinoline
CID 162418925
6-chloro-2-ethyl-4-phenylquinoline
CID 622532
4-phenyl-2-propylquinoline
CID 145370518

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-phenyl-5-prop-1-ynylquinoline?
The IUPAC name of 2-ethyl-3-phenyl-5-prop-1-ynylquinoline (CID 145057543) is 2-ethyl-3-phenyl-5-prop-1-ynylquinoline.
What is the SMILES notation for 2-ethyl-3-phenyl-5-prop-1-ynylquinoline?
The canonical SMILES for 2-ethyl-3-phenyl-5-prop-1-ynylquinoline is CC#Cc1cccc2nc(CC)c(-c3ccccc3)cc12.
What is the InChIKey of 2-ethyl-3-phenyl-5-prop-1-ynylquinoline?
The InChIKey is UFNHFRYXOZYKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N/c1-3-9-15-12-8-13-20-18(15)14-17(19(4-2)21-20)16-10-6-5-7-11-16/h5-8,10-14H,4H2,1-2H3.
What are the key properties of 2-ethyl-3-phenyl-5-prop-1-ynylquinoline?
2-ethyl-3-phenyl-5-prop-1-ynylquinoline has a molecular weight of 271.36 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-phenyl-5-prop-1-ynylquinoline is sourced from PubChem (CID 145057543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).