7-ethyl-4-(imidazol-1-ylmethyl)-2-phenylpyrrolo[2,3-h]quinoline

C23H20N4 — CID 72703685

IUPAC7-ethyl-4-(imidazol-1-ylmethyl)-2-phenylpyrrolo[2,3-h]quinoline
SMILESCCn1ccc2c3nc(-c4ccccc4)cc(Cn4ccnc4)c3ccc21
InChIInChI=1S/C23H20N4/c1-2-27-12-10-20-22(27)9-8-19-18(15-26-13-11-24-16-26)14-21(25-23(19)20)17-6-4-3-5-7-17/h3-14,16H,2,15H2,1H3
InChIKeyJJBBGSQNJYBGBL-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.12
Rot. Bonds4

About 7-ethyl-4-(imidazol-1-ylmethyl)-2-phenylpyrrolo[2,3-h]quinoline

7-ethyl-4-(imidazol-1-ylmethyl)-2-phenylpyrrolo[2,3-h]quinoline (PubChem CID 72703685) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 7-ethyl-4-(imidazol-1-ylmethyl)-2-phenylpyrrolo[2,3-h]quinoline.

Molecular Properties

Compound Name7-ethyl-4-(imidazol-1-ylmethyl)-2-phenylpyrrolo[2,3-h]quinoline
PubChem CID72703685
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC Name7-ethyl-4-(imidazol-1-ylmethyl)-2-phenylpyrrolo[2,3-h]quinoline
SMILESCCn1ccc2c3nc(-c4ccccc4)cc(Cn4ccnc4)c3ccc21
InChIInChI=1S/C23H20N4/c1-2-27-12-10-20-22(27)9-8-19-18(15-26-13-11-24-16-26)14-21(25-23(19)20)17-6-4-3-5-7-17/h3-14,16H,2,15H2,1H3
InChIKeyJJBBGSQNJYBGBL-UHFFFAOYSA-N
XLogP5.12
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-(imidazol-1-ylmethyl)-2-phenylpyrrolo[2,3-h]quinoline?
The IUPAC name of 7-ethyl-4-(imidazol-1-ylmethyl)-2-phenylpyrrolo[2,3-h]quinoline (CID 72703685) is 7-ethyl-4-(imidazol-1-ylmethyl)-2-phenylpyrrolo[2,3-h]quinoline.
What is the SMILES notation for 7-ethyl-4-(imidazol-1-ylmethyl)-2-phenylpyrrolo[2,3-h]quinoline?
The canonical SMILES for 7-ethyl-4-(imidazol-1-ylmethyl)-2-phenylpyrrolo[2,3-h]quinoline is CCn1ccc2c3nc(-c4ccccc4)cc(Cn4ccnc4)c3ccc21.
What is the InChIKey of 7-ethyl-4-(imidazol-1-ylmethyl)-2-phenylpyrrolo[2,3-h]quinoline?
The InChIKey is JJBBGSQNJYBGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4/c1-2-27-12-10-20-22(27)9-8-19-18(15-26-13-11-24-16-26)14-21(25-23(19)20)17-6-4-3-5-7-17/h3-14,16H,2,15H2,1H3.
What are the key properties of 7-ethyl-4-(imidazol-1-ylmethyl)-2-phenylpyrrolo[2,3-h]quinoline?
7-ethyl-4-(imidazol-1-ylmethyl)-2-phenylpyrrolo[2,3-h]quinoline has a molecular weight of 352.44 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-(imidazol-1-ylmethyl)-2-phenylpyrrolo[2,3-h]quinoline is sourced from PubChem (CID 72703685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).