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

C18H17N5 — CID 44531725

IUPAC7-[(2-methylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCc1ccccc1Cn1ccc2c3c(N)nc(N)nc3ccc21
InChIInChI=1S/C18H17N5/c1-11-4-2-3-5-12(11)10-23-9-8-13-15(23)7-6-14-16(13)17(19)22-18(20)21-14/h2-9H,10H2,1H3,(H4,19,20,21,22)
InChIKeyXYLBUDCAKCIKSO-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.11
Rot. Bonds2

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

7-[(2-methylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 44531725) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 7-[(2-methylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name7-[(2-methylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID44531725
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name7-[(2-methylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCc1ccccc1Cn1ccc2c3c(N)nc(N)nc3ccc21
InChIInChI=1S/C18H17N5/c1-11-4-2-3-5-12(11)10-23-9-8-13-15(23)7-6-14-16(13)17(19)22-18(20)21-14/h2-9H,10H2,1H3,(H4,19,20,21,22)
InChIKeyXYLBUDCAKCIKSO-UHFFFAOYSA-N
XLogP3.11
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-methylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of 7-[(2-methylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine (CID 44531725) is 7-[(2-methylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for 7-[(2-methylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for 7-[(2-methylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine is Cc1ccccc1Cn1ccc2c3c(N)nc(N)nc3ccc21.
What is the InChIKey of 7-[(2-methylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is XYLBUDCAKCIKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-11-4-2-3-5-12(11)10-23-9-8-13-15(23)7-6-14-16(13)17(19)22-18(20)21-14/h2-9H,10H2,1H3,(H4,19,20,21,22).
What are the key properties of 7-[(2-methylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
7-[(2-methylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 303.37 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 44531725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).