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

C17H13N5 — CID 155533460

IUPAC5-phenylpyrido[3,4-g]quinazoline-2,10-diamine
SMILESNc1ncc2c(-c3ccccc3)c3cnccc3c(N)c2n1
InChIInChI=1S/C17H13N5/c18-15-11-6-7-20-8-12(11)14(10-4-2-1-3-5-10)13-9-21-17(19)22-16(13)15/h1-9H,18H2,(H2,19,21,22)
InChIKeyUAWXKKPUTNNTOZ-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.01
Rot. Bonds1

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

5-phenylpyrido[3,4-g]quinazoline-2,10-diamine (PubChem CID 155533460) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is 5-phenylpyrido[3,4-g]quinazoline-2,10-diamine.

Molecular Properties

Compound Name5-phenylpyrido[3,4-g]quinazoline-2,10-diamine
PubChem CID155533460
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC Name5-phenylpyrido[3,4-g]quinazoline-2,10-diamine
SMILESNc1ncc2c(-c3ccccc3)c3cnccc3c(N)c2n1
InChIInChI=1S/C17H13N5/c18-15-11-6-7-20-8-12(11)14(10-4-2-1-3-5-10)13-9-21-17(19)22-16(13)15/h1-9H,18H2,(H2,19,21,22)
InChIKeyUAWXKKPUTNNTOZ-UHFFFAOYSA-N
XLogP3.01
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.01
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-phenylpyrido[3,4-g]quinazoline-2,10-diamine?
The IUPAC name of 5-phenylpyrido[3,4-g]quinazoline-2,10-diamine (CID 155533460) is 5-phenylpyrido[3,4-g]quinazoline-2,10-diamine.
What is the SMILES notation for 5-phenylpyrido[3,4-g]quinazoline-2,10-diamine?
The canonical SMILES for 5-phenylpyrido[3,4-g]quinazoline-2,10-diamine is Nc1ncc2c(-c3ccccc3)c3cnccc3c(N)c2n1.
What is the InChIKey of 5-phenylpyrido[3,4-g]quinazoline-2,10-diamine?
The InChIKey is UAWXKKPUTNNTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5/c18-15-11-6-7-20-8-12(11)14(10-4-2-1-3-5-10)13-9-21-17(19)22-16(13)15/h1-9H,18H2,(H2,19,21,22).
What are the key properties of 5-phenylpyrido[3,4-g]quinazoline-2,10-diamine?
5-phenylpyrido[3,4-g]quinazoline-2,10-diamine has a molecular weight of 287.33 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpyrido[3,4-g]quinazoline-2,10-diamine is sourced from PubChem (CID 155533460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).