7-[(2,5-dimethylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine

C19H19N5 — CID 22767727

IUPAC7-[(2,5-dimethylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCc1ccc(C)c(Cn2ccc3c4c(N)nc(N)nc4ccc32)c1
InChIInChI=1S/C19H19N5/c1-11-3-4-12(2)13(9-11)10-24-8-7-14-16(24)6-5-15-17(14)18(20)23-19(21)22-15/h3-9H,10H2,1-2H3,(H4,20,21,22,23)
InChIKeyROCKCWPFRQNKAF-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.41
Rot. Bonds2

About 7-[(2,5-dimethylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine

7-[(2,5-dimethylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 22767727) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 7-[(2,5-dimethylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name7-[(2,5-dimethylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID22767727
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name7-[(2,5-dimethylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCc1ccc(C)c(Cn2ccc3c4c(N)nc(N)nc4ccc32)c1
InChIInChI=1S/C19H19N5/c1-11-3-4-12(2)13(9-11)10-24-8-7-14-16(24)6-5-15-17(14)18(20)23-19(21)22-15/h3-9H,10H2,1-2H3,(H4,20,21,22,23)
InChIKeyROCKCWPFRQNKAF-UHFFFAOYSA-N
XLogP3.41
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,5-dimethylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of 7-[(2,5-dimethylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine (CID 22767727) is 7-[(2,5-dimethylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for 7-[(2,5-dimethylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for 7-[(2,5-dimethylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine is Cc1ccc(C)c(Cn2ccc3c4c(N)nc(N)nc4ccc32)c1.
What is the InChIKey of 7-[(2,5-dimethylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is ROCKCWPFRQNKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-11-3-4-12(2)13(9-11)10-24-8-7-14-16(24)6-5-15-17(14)18(20)23-19(21)22-15/h3-9H,10H2,1-2H3,(H4,20,21,22,23).
What are the key properties of 7-[(2,5-dimethylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine?
7-[(2,5-dimethylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 317.40 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,5-dimethylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 22767727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).