2-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline

C16H12N4 — CID 58820202

IUPAC2-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline
SMILESCc1nc(-n2ccc3cnccc32)c2ccccc2n1
InChIInChI=1S/C16H12N4/c1-11-18-14-5-3-2-4-13(14)16(19-11)20-9-7-12-10-17-8-6-15(12)20/h2-10H,1H3
InChIKeyDWEAUDCGSAEUNJ-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.28
Rot. Bonds1

About 2-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline

2-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline (PubChem CID 58820202) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline.

Molecular Properties

Compound Name2-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline
PubChem CID58820202
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name2-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline
SMILESCc1nc(-n2ccc3cnccc32)c2ccccc2n1
InChIInChI=1S/C16H12N4/c1-11-18-14-5-3-2-4-13(14)16(19-11)20-9-7-12-10-17-8-6-15(12)20/h2-10H,1H3
InChIKeyDWEAUDCGSAEUNJ-UHFFFAOYSA-N
XLogP3.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline?
The IUPAC name of 2-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline (CID 58820202) is 2-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline.
What is the SMILES notation for 2-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline?
The canonical SMILES for 2-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline is Cc1nc(-n2ccc3cnccc32)c2ccccc2n1.
What is the InChIKey of 2-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline?
The InChIKey is DWEAUDCGSAEUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-11-18-14-5-3-2-4-13(14)16(19-11)20-9-7-12-10-17-8-6-15(12)20/h2-10H,1H3.
What are the key properties of 2-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline?
2-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline has a molecular weight of 260.30 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline is sourced from PubChem (CID 58820202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).