5-benzylpyrido[3,4-g]quinazoline-2,10-diamine

C18H15N5 — CID 155516512

IUPAC5-benzylpyrido[3,4-g]quinazoline-2,10-diamine
SMILESNc1ncc2c(Cc3ccccc3)c3cnccc3c(N)c2n1
InChIInChI=1S/C18H15N5/c19-16-12-6-7-21-9-14(12)13(8-11-4-2-1-3-5-11)15-10-22-18(20)23-17(15)16/h1-7,9-10H,8,19H2,(H2,20,22,23)
InChIKeyIJLIUHZIWYEJOA-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.93
Rot. Bonds2

About 5-benzylpyrido[3,4-g]quinazoline-2,10-diamine

5-benzylpyrido[3,4-g]quinazoline-2,10-diamine (PubChem CID 155516512) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-benzylpyrido[3,4-g]quinazoline-2,10-diamine.

Molecular Properties

Compound Name5-benzylpyrido[3,4-g]quinazoline-2,10-diamine
PubChem CID155516512
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name5-benzylpyrido[3,4-g]quinazoline-2,10-diamine
SMILESNc1ncc2c(Cc3ccccc3)c3cnccc3c(N)c2n1
InChIInChI=1S/C18H15N5/c19-16-12-6-7-21-9-14(12)13(8-11-4-2-1-3-5-11)15-10-22-18(20)23-17(15)16/h1-7,9-10H,8,19H2,(H2,20,22,23)
InChIKeyIJLIUHZIWYEJOA-UHFFFAOYSA-N
XLogP2.93
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzylpyrido[3,4-g]quinazoline-2,10-diamine?
The IUPAC name of 5-benzylpyrido[3,4-g]quinazoline-2,10-diamine (CID 155516512) is 5-benzylpyrido[3,4-g]quinazoline-2,10-diamine.
What is the SMILES notation for 5-benzylpyrido[3,4-g]quinazoline-2,10-diamine?
The canonical SMILES for 5-benzylpyrido[3,4-g]quinazoline-2,10-diamine is Nc1ncc2c(Cc3ccccc3)c3cnccc3c(N)c2n1.
What is the InChIKey of 5-benzylpyrido[3,4-g]quinazoline-2,10-diamine?
The InChIKey is IJLIUHZIWYEJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c19-16-12-6-7-21-9-14(12)13(8-11-4-2-1-3-5-11)15-10-22-18(20)23-17(15)16/h1-7,9-10H,8,19H2,(H2,20,22,23).
What are the key properties of 5-benzylpyrido[3,4-g]quinazoline-2,10-diamine?
5-benzylpyrido[3,4-g]quinazoline-2,10-diamine has a molecular weight of 301.35 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylpyrido[3,4-g]quinazoline-2,10-diamine is sourced from PubChem (CID 155516512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).