10-nitro-N-(3-piperidin-1-ylpropyl)pyrido[3,4-g]quinazolin-2-amine

C19H22N6O2 — CID 162663197

IUPAC10-nitro-N-(3-piperidin-1-ylpropyl)pyrido[3,4-g]quinazolin-2-amine
SMILESO=[N+]([O-])c1c2ccncc2cc2cnc(NCCCN3CCCCC3)nc12
InChIInChI=1S/C19H22N6O2/c26-25(27)18-16-5-7-20-12-14(16)11-15-13-22-19(23-17(15)18)21-6-4-10-24-8-2-1-3-9-24/h5,7,11-13H,1-4,6,8-10H2,(H,21,22,23)
InChIKeyVTGJUJAOYNGWLM-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.37
Rot. Bonds6

About 10-nitro-N-(3-piperidin-1-ylpropyl)pyrido[3,4-g]quinazolin-2-amine

10-nitro-N-(3-piperidin-1-ylpropyl)pyrido[3,4-g]quinazolin-2-amine (PubChem CID 162663197) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 10-nitro-N-(3-piperidin-1-ylpropyl)pyrido[3,4-g]quinazolin-2-amine.

Molecular Properties

Compound Name10-nitro-N-(3-piperidin-1-ylpropyl)pyrido[3,4-g]quinazolin-2-amine
PubChem CID162663197
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name10-nitro-N-(3-piperidin-1-ylpropyl)pyrido[3,4-g]quinazolin-2-amine
SMILESO=[N+]([O-])c1c2ccncc2cc2cnc(NCCCN3CCCCC3)nc12
InChIInChI=1S/C19H22N6O2/c26-25(27)18-16-5-7-20-12-14(16)11-15-13-22-19(23-17(15)18)21-6-4-10-24-8-2-1-3-9-24/h5,7,11-13H,1-4,6,8-10H2,(H,21,22,23)
InChIKeyVTGJUJAOYNGWLM-UHFFFAOYSA-N
XLogP3.37
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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 10-nitro-N-(3-piperidin-1-ylpropyl)pyrido[3,4-g]quinazolin-2-amine?
The IUPAC name of 10-nitro-N-(3-piperidin-1-ylpropyl)pyrido[3,4-g]quinazolin-2-amine (CID 162663197) is 10-nitro-N-(3-piperidin-1-ylpropyl)pyrido[3,4-g]quinazolin-2-amine.
What is the SMILES notation for 10-nitro-N-(3-piperidin-1-ylpropyl)pyrido[3,4-g]quinazolin-2-amine?
The canonical SMILES for 10-nitro-N-(3-piperidin-1-ylpropyl)pyrido[3,4-g]quinazolin-2-amine is O=[N+]([O-])c1c2ccncc2cc2cnc(NCCCN3CCCCC3)nc12.
What is the InChIKey of 10-nitro-N-(3-piperidin-1-ylpropyl)pyrido[3,4-g]quinazolin-2-amine?
The InChIKey is VTGJUJAOYNGWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c26-25(27)18-16-5-7-20-12-14(16)11-15-13-22-19(23-17(15)18)21-6-4-10-24-8-2-1-3-9-24/h5,7,11-13H,1-4,6,8-10H2,(H,21,22,23).
What are the key properties of 10-nitro-N-(3-piperidin-1-ylpropyl)pyrido[3,4-g]quinazolin-2-amine?
10-nitro-N-(3-piperidin-1-ylpropyl)pyrido[3,4-g]quinazolin-2-amine has a molecular weight of 366.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-nitro-N-(3-piperidin-1-ylpropyl)pyrido[3,4-g]quinazolin-2-amine is sourced from PubChem (CID 162663197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).