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

C24H21N5O — CID 44531164

IUPAC7-[(4-phenylmethoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESNc1nc(N)c2c(ccc3c2ccn3Cc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C24H21N5O/c25-23-22-19-12-13-29(21(19)11-10-20(22)27-24(26)28-23)14-16-6-8-18(9-7-16)30-15-17-4-2-1-3-5-17/h1-13H,14-15H2,(H4,25,26,27,28)
InChIKeyBPGWDBGJHFZIBE-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.38
Rot. Bonds5

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

7-[(4-phenylmethoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 44531164) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 7-[(4-phenylmethoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name7-[(4-phenylmethoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID44531164
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name7-[(4-phenylmethoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESNc1nc(N)c2c(ccc3c2ccn3Cc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C24H21N5O/c25-23-22-19-12-13-29(21(19)11-10-20(22)27-24(26)28-23)14-16-6-8-18(9-7-16)30-15-17-4-2-1-3-5-17/h1-13H,14-15H2,(H4,25,26,27,28)
InChIKeyBPGWDBGJHFZIBE-UHFFFAOYSA-N
XLogP4.38
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-phenylmethoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of 7-[(4-phenylmethoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine (CID 44531164) is 7-[(4-phenylmethoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for 7-[(4-phenylmethoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for 7-[(4-phenylmethoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine is Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc(OCc3ccccc3)cc2)n1.
What is the InChIKey of 7-[(4-phenylmethoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is BPGWDBGJHFZIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c25-23-22-19-12-13-29(21(19)11-10-20(22)27-24(26)28-23)14-16-6-8-18(9-7-16)30-15-17-4-2-1-3-5-17/h1-13H,14-15H2,(H4,25,26,27,28).
What are the key properties of 7-[(4-phenylmethoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
7-[(4-phenylmethoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 395.47 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-phenylmethoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 44531164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).