2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrido[3,4-g]quinazoline-2,10-diamine

C18H23N7 — CID 162655571

IUPAC2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrido[3,4-g]quinazoline-2,10-diamine
SMILESCN1CCN(CCNc2ncc3cc4cnccc4c(N)c3n2)CC1
InChIInChI=1S/C18H23N7/c1-24-6-8-25(9-7-24)5-4-21-18-22-12-14-10-13-11-20-3-2-15(13)16(19)17(14)23-18/h2-3,10-12H,4-9,19H2,1H3,(H,21,22,23)
InChIKeyQTONLEAATBOFQB-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.42
Rot. Bonds4

About 2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrido[3,4-g]quinazoline-2,10-diamine

2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrido[3,4-g]quinazoline-2,10-diamine (PubChem CID 162655571) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrido[3,4-g]quinazoline-2,10-diamine.

Molecular Properties

Compound Name2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrido[3,4-g]quinazoline-2,10-diamine
PubChem CID162655571
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrido[3,4-g]quinazoline-2,10-diamine
SMILESCN1CCN(CCNc2ncc3cc4cnccc4c(N)c3n2)CC1
InChIInChI=1S/C18H23N7/c1-24-6-8-25(9-7-24)5-4-21-18-22-12-14-10-13-11-20-3-2-15(13)16(19)17(14)23-18/h2-3,10-12H,4-9,19H2,1H3,(H,21,22,23)
InChIKeyQTONLEAATBOFQB-UHFFFAOYSA-N
XLogP1.42
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrido[3,4-g]quinazoline-2,10-diamine?
The IUPAC name of 2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrido[3,4-g]quinazoline-2,10-diamine (CID 162655571) is 2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrido[3,4-g]quinazoline-2,10-diamine.
What is the SMILES notation for 2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrido[3,4-g]quinazoline-2,10-diamine?
The canonical SMILES for 2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrido[3,4-g]quinazoline-2,10-diamine is CN1CCN(CCNc2ncc3cc4cnccc4c(N)c3n2)CC1.
What is the InChIKey of 2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrido[3,4-g]quinazoline-2,10-diamine?
The InChIKey is QTONLEAATBOFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-24-6-8-25(9-7-24)5-4-21-18-22-12-14-10-13-11-20-3-2-15(13)16(19)17(14)23-18/h2-3,10-12H,4-9,19H2,1H3,(H,21,22,23).
What are the key properties of 2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrido[3,4-g]quinazoline-2,10-diamine?
2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrido[3,4-g]quinazoline-2,10-diamine has a molecular weight of 337.43 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrido[3,4-g]quinazoline-2,10-diamine is sourced from PubChem (CID 162655571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).