7-[(4-phenylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine

C23H19N5 — CID 44531726

IUPAC7-[(4-phenylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESNc1nc(N)c2c(ccc3c2ccn3Cc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C23H19N5/c24-22-21-18-12-13-28(20(18)11-10-19(21)26-23(25)27-22)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13H,14H2,(H4,24,25,26,27)
InChIKeyCKQXMSDRDDHCOR-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.46
Rot. Bonds3

About 7-[(4-phenylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine

7-[(4-phenylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 44531726) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is 7-[(4-phenylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name7-[(4-phenylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID44531726
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC Name7-[(4-phenylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESNc1nc(N)c2c(ccc3c2ccn3Cc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C23H19N5/c24-22-21-18-12-13-28(20(18)11-10-19(21)26-23(25)27-22)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13H,14H2,(H4,24,25,26,27)
InChIKeyCKQXMSDRDDHCOR-UHFFFAOYSA-N
XLogP4.46
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-phenylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of 7-[(4-phenylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine (CID 44531726) is 7-[(4-phenylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for 7-[(4-phenylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for 7-[(4-phenylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine is Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 7-[(4-phenylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is CKQXMSDRDDHCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5/c24-22-21-18-12-13-28(20(18)11-10-19(21)26-23(25)27-22)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13H,14H2,(H4,24,25,26,27).
What are the key properties of 7-[(4-phenylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
7-[(4-phenylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 365.44 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-phenylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 44531726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).