1,4,4-trimethyl-9H-pyrrolo[2,3-b]quinoline

C14H16N2 — CID 155600048

IUPAC1,4,4-trimethyl-9H-pyrrolo[2,3-b]quinoline
SMILESCn1ccc2c1Nc1ccccc1C2(C)C
InChIInChI=1S/C14H16N2/c1-14(2)10-6-4-5-7-12(10)15-13-11(14)8-9-16(13)3/h4-9,15H,1-3H3
InChIKeyUBWHVYPFUFCLQV-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.41
Rot. Bonds

About 1,4,4-trimethyl-9H-pyrrolo[2,3-b]quinoline

1,4,4-trimethyl-9H-pyrrolo[2,3-b]quinoline (PubChem CID 155600048) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1,4,4-trimethyl-9H-pyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name1,4,4-trimethyl-9H-pyrrolo[2,3-b]quinoline
PubChem CID155600048
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1,4,4-trimethyl-9H-pyrrolo[2,3-b]quinoline
SMILESCn1ccc2c1Nc1ccccc1C2(C)C
InChIInChI=1S/C14H16N2/c1-14(2)10-6-4-5-7-12(10)15-13-11(14)8-9-16(13)3/h4-9,15H,1-3H3
InChIKeyUBWHVYPFUFCLQV-UHFFFAOYSA-N
XLogP3.41
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethyl-9H-pyrrolo[2,3-b]quinoline?
The IUPAC name of 1,4,4-trimethyl-9H-pyrrolo[2,3-b]quinoline (CID 155600048) is 1,4,4-trimethyl-9H-pyrrolo[2,3-b]quinoline.
What is the SMILES notation for 1,4,4-trimethyl-9H-pyrrolo[2,3-b]quinoline?
The canonical SMILES for 1,4,4-trimethyl-9H-pyrrolo[2,3-b]quinoline is Cn1ccc2c1Nc1ccccc1C2(C)C.
What is the InChIKey of 1,4,4-trimethyl-9H-pyrrolo[2,3-b]quinoline?
The InChIKey is UBWHVYPFUFCLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-14(2)10-6-4-5-7-12(10)15-13-11(14)8-9-16(13)3/h4-9,15H,1-3H3.
What are the key properties of 1,4,4-trimethyl-9H-pyrrolo[2,3-b]quinoline?
1,4,4-trimethyl-9H-pyrrolo[2,3-b]quinoline has a molecular weight of 212.30 g/mol, XLogP of 3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethyl-9H-pyrrolo[2,3-b]quinoline is sourced from PubChem (CID 155600048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).