7-methyl-8-phenylpyrrolo[3,2-f]quinazoline-1,3-diamine

C17H15N5 — CID 22767708

IUPAC7-methyl-8-phenylpyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCn1c(-c2ccccc2)cc2c3c(N)nc(N)nc3ccc21
InChIInChI=1S/C17H15N5/c1-22-13-8-7-12-15(16(18)21-17(19)20-12)11(13)9-14(22)10-5-3-2-4-6-10/h2-9H,1H3,(H4,18,19,20,21)
InChIKeyBTAVZGBOYPMSPV-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.95
Rot. Bonds1

About 7-methyl-8-phenylpyrrolo[3,2-f]quinazoline-1,3-diamine

7-methyl-8-phenylpyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 22767708) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 7-methyl-8-phenylpyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name7-methyl-8-phenylpyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID22767708
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name7-methyl-8-phenylpyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCn1c(-c2ccccc2)cc2c3c(N)nc(N)nc3ccc21
InChIInChI=1S/C17H15N5/c1-22-13-8-7-12-15(16(18)21-17(19)20-12)11(13)9-14(22)10-5-3-2-4-6-10/h2-9H,1H3,(H4,18,19,20,21)
InChIKeyBTAVZGBOYPMSPV-UHFFFAOYSA-N
XLogP2.95
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-phenylpyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of 7-methyl-8-phenylpyrrolo[3,2-f]quinazoline-1,3-diamine (CID 22767708) is 7-methyl-8-phenylpyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for 7-methyl-8-phenylpyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for 7-methyl-8-phenylpyrrolo[3,2-f]quinazoline-1,3-diamine is Cn1c(-c2ccccc2)cc2c3c(N)nc(N)nc3ccc21.
What is the InChIKey of 7-methyl-8-phenylpyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is BTAVZGBOYPMSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-22-13-8-7-12-15(16(18)21-17(19)20-12)11(13)9-14(22)10-5-3-2-4-6-10/h2-9H,1H3,(H4,18,19,20,21).
What are the key properties of 7-methyl-8-phenylpyrrolo[3,2-f]quinazoline-1,3-diamine?
7-methyl-8-phenylpyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 289.34 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-phenylpyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 22767708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).