7,9-dimethyl-2-prop-2-enylpyrrolo[2,3-h]quinoline

C16H16N2 — CID 89263991

IUPAC7,9-dimethyl-2-prop-2-enylpyrrolo[2,3-h]quinoline
SMILESC=CCc1ccc2ccc3c(c(C)cn3C)c2n1
InChIInChI=1S/C16H16N2/c1-4-5-13-8-6-12-7-9-14-15(16(12)17-13)11(2)10-18(14)3/h4,6-10H,1,5H2,2-3H3
InChIKeyUJPSKGSQIMSLDP-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.76
Rot. Bonds2

About 7,9-dimethyl-2-prop-2-enylpyrrolo[2,3-h]quinoline

7,9-dimethyl-2-prop-2-enylpyrrolo[2,3-h]quinoline (PubChem CID 89263991) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 7,9-dimethyl-2-prop-2-enylpyrrolo[2,3-h]quinoline.

Molecular Properties

Compound Name7,9-dimethyl-2-prop-2-enylpyrrolo[2,3-h]quinoline
PubChem CID89263991
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name7,9-dimethyl-2-prop-2-enylpyrrolo[2,3-h]quinoline
SMILESC=CCc1ccc2ccc3c(c(C)cn3C)c2n1
InChIInChI=1S/C16H16N2/c1-4-5-13-8-6-12-7-9-14-15(16(12)17-13)11(2)10-18(14)3/h4,6-10H,1,5H2,2-3H3
InChIKeyUJPSKGSQIMSLDP-UHFFFAOYSA-N
XLogP3.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methylquinoline
CID 7059
Acridine Orange Base
CID 62344
Latrepirdine
CID 197033
Ellipticine
CID 3213
Mebhydrolin
CID 22530
8-Methylquinoline
CID 11910
1,7-Phenanthroline
CID 67473
Avn-101
CID 42631003
Besipirdine
CID 60691
Nerispirdine
CID 3081185
1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
CID 4722579
6-Isopropylquinoline
CID 67285

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-2-prop-2-enylpyrrolo[2,3-h]quinoline?
The IUPAC name of 7,9-dimethyl-2-prop-2-enylpyrrolo[2,3-h]quinoline (CID 89263991) is 7,9-dimethyl-2-prop-2-enylpyrrolo[2,3-h]quinoline.
What is the SMILES notation for 7,9-dimethyl-2-prop-2-enylpyrrolo[2,3-h]quinoline?
The canonical SMILES for 7,9-dimethyl-2-prop-2-enylpyrrolo[2,3-h]quinoline is C=CCc1ccc2ccc3c(c(C)cn3C)c2n1.
What is the InChIKey of 7,9-dimethyl-2-prop-2-enylpyrrolo[2,3-h]quinoline?
The InChIKey is UJPSKGSQIMSLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-4-5-13-8-6-12-7-9-14-15(16(12)17-13)11(2)10-18(14)3/h4,6-10H,1,5H2,2-3H3.
What are the key properties of 7,9-dimethyl-2-prop-2-enylpyrrolo[2,3-h]quinoline?
7,9-dimethyl-2-prop-2-enylpyrrolo[2,3-h]quinoline has a molecular weight of 236.32 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-2-prop-2-enylpyrrolo[2,3-h]quinoline is sourced from PubChem (CID 89263991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).