1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline

C16H16N4 — CID 110875036

IUPAC1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline
SMILESCn1ccc2c(N3CCCc4ccccc43)ncnc21
InChIInChI=1S/C16H16N4/c1-19-10-8-13-15(19)17-11-18-16(13)20-9-4-6-12-5-2-3-7-14(12)20/h2-3,5,7-8,10-11H,4,6,9H2,1H3
InChIKeyJNFXPVMTTYFPSF-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.05
Rot. Bonds1

About 1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline

1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline (PubChem CID 110875036) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline
PubChem CID110875036
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline
SMILESCn1ccc2c(N3CCCc4ccccc43)ncnc21
InChIInChI=1S/C16H16N4/c1-19-10-8-13-15(19)17-11-18-16(13)20-9-4-6-12-5-2-3-7-14(12)20/h2-3,5,7-8,10-11H,4,6,9H2,1H3
InChIKeyJNFXPVMTTYFPSF-UHFFFAOYSA-N
XLogP3.05
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline (CID 110875036) is 1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline is Cn1ccc2c(N3CCCc4ccccc43)ncnc21.
What is the InChIKey of 1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is JNFXPVMTTYFPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-19-10-8-13-15(19)17-11-18-16(13)20-9-4-6-12-5-2-3-7-14(12)20/h2-3,5,7-8,10-11H,4,6,9H2,1H3.
What are the key properties of 1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline?
1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 264.33 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 110875036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).