2-N-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine

C18H22N6O — CID 137332125

IUPAC2-N-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine
SMILESNc1c2ccncc2cc2cnc(NCCCN3CCOCC3)nc12
InChIInChI=1S/C18H22N6O/c19-16-15-2-4-20-11-13(15)10-14-12-22-18(23-17(14)16)21-3-1-5-24-6-8-25-9-7-24/h2,4,10-12H,1,3,5-9,19H2,(H,21,22,23)
InChIKeyLRBZZLHCFITOFC-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.89
Rot. Bonds5

About 2-N-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine

2-N-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine (PubChem CID 137332125) has the molecular formula C18H22N6O and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-N-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine.

Molecular Properties

Compound Name2-N-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine
PubChem CID137332125
Molecular FormulaC18H22N6O
Molecular Weight338.41 g/mol
Exact Mass338.19
IUPAC Name2-N-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine
SMILESNc1c2ccncc2cc2cnc(NCCCN3CCOCC3)nc12
InChIInChI=1S/C18H22N6O/c19-16-15-2-4-20-11-13(15)10-14-12-22-18(23-17(14)16)21-3-1-5-24-6-8-25-9-7-24/h2,4,10-12H,1,3,5-9,19H2,(H,21,22,23)
InChIKeyLRBZZLHCFITOFC-UHFFFAOYSA-N
XLogP1.89
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-N-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine?
The IUPAC name of 2-N-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine (CID 137332125) is 2-N-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine.
What is the SMILES notation for 2-N-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine?
The canonical SMILES for 2-N-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine is Nc1c2ccncc2cc2cnc(NCCCN3CCOCC3)nc12.
What is the InChIKey of 2-N-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine?
The InChIKey is LRBZZLHCFITOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c19-16-15-2-4-20-11-13(15)10-14-12-22-18(23-17(14)16)21-3-1-5-24-6-8-25-9-7-24/h2,4,10-12H,1,3,5-9,19H2,(H,21,22,23).
What are the key properties of 2-N-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine?
2-N-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine has a molecular weight of 338.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine is sourced from PubChem (CID 137332125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).