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

C19H25N7 — CID 162659504

IUPAC2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[3,4-g]quinazoline-2,10-diamine
SMILESCN1CCN(CCCNc2ncc3cc4cnccc4c(N)c3n2)CC1
InChIInChI=1S/C19H25N7/c1-25-7-9-26(10-8-25)6-2-4-22-19-23-13-15-11-14-12-21-5-3-16(14)17(20)18(15)24-19/h3,5,11-13H,2,4,6-10,20H2,1H3,(H,22,23,24)
InChIKeyNATLOXGWVZDAHX-UHFFFAOYSA-N
MW351.46 g/mol
LogP1.81
Rot. Bonds5

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

2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[3,4-g]quinazoline-2,10-diamine (PubChem CID 162659504) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[3,4-g]quinazoline-2,10-diamine.

Molecular Properties

Compound Name2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[3,4-g]quinazoline-2,10-diamine
PubChem CID162659504
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[3,4-g]quinazoline-2,10-diamine
SMILESCN1CCN(CCCNc2ncc3cc4cnccc4c(N)c3n2)CC1
InChIInChI=1S/C19H25N7/c1-25-7-9-26(10-8-25)6-2-4-22-19-23-13-15-11-14-12-21-5-3-16(14)17(20)18(15)24-19/h3,5,11-13H,2,4,6-10,20H2,1H3,(H,22,23,24)
InChIKeyNATLOXGWVZDAHX-UHFFFAOYSA-N
XLogP1.81
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 51.81
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-(4-methylpiperazin-1-yl)propyl]pyrido[3,4-g]quinazoline-2,10-diamine?
The IUPAC name of 2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[3,4-g]quinazoline-2,10-diamine (CID 162659504) is 2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[3,4-g]quinazoline-2,10-diamine.
What is the SMILES notation for 2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[3,4-g]quinazoline-2,10-diamine?
The canonical SMILES for 2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[3,4-g]quinazoline-2,10-diamine is CN1CCN(CCCNc2ncc3cc4cnccc4c(N)c3n2)CC1.
What is the InChIKey of 2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[3,4-g]quinazoline-2,10-diamine?
The InChIKey is NATLOXGWVZDAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7/c1-25-7-9-26(10-8-25)6-2-4-22-19-23-13-15-11-14-12-21-5-3-16(14)17(20)18(15)24-19/h3,5,11-13H,2,4,6-10,20H2,1H3,(H,22,23,24).
What are the key properties of 2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[3,4-g]quinazoline-2,10-diamine?
2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[3,4-g]quinazoline-2,10-diamine has a molecular weight of 351.46 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[3,4-g]quinazoline-2,10-diamine is sourced from PubChem (CID 162659504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).