N-[3-(4-methylpiperazin-1-yl)propyl]-10-nitropyrido[3,4-g]quinazolin-2-amine

C19H23N7O2 — CID 162667180

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-10-nitropyrido[3,4-g]quinazolin-2-amine
SMILESCN1CCN(CCCNc2ncc3cc4cnccc4c([N+](=O)[O-])c3n2)CC1
InChIInChI=1S/C19H23N7O2/c1-24-7-9-25(10-8-24)6-2-4-21-19-22-13-15-11-14-12-20-5-3-16(14)18(26(27)28)17(15)23-19/h3,5,11-13H,2,4,6-10H2,1H3,(H,21,22,23)
InChIKeyLQYZPOJQAKCFFO-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.14
Rot. Bonds6

About N-[3-(4-methylpiperazin-1-yl)propyl]-10-nitropyrido[3,4-g]quinazolin-2-amine

N-[3-(4-methylpiperazin-1-yl)propyl]-10-nitropyrido[3,4-g]quinazolin-2-amine (PubChem CID 162667180) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-10-nitropyrido[3,4-g]quinazolin-2-amine.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-10-nitropyrido[3,4-g]quinazolin-2-amine
PubChem CID162667180
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-10-nitropyrido[3,4-g]quinazolin-2-amine
SMILESCN1CCN(CCCNc2ncc3cc4cnccc4c([N+](=O)[O-])c3n2)CC1
InChIInChI=1S/C19H23N7O2/c1-24-7-9-25(10-8-24)6-2-4-21-19-22-13-15-11-14-12-20-5-3-16(14)18(26(27)28)17(15)23-19/h3,5,11-13H,2,4,6-10H2,1H3,(H,21,22,23)
InChIKeyLQYZPOJQAKCFFO-UHFFFAOYSA-N
XLogP2.14
TPSA100.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 N-[3-(4-methylpiperazin-1-yl)propyl]-10-nitropyrido[3,4-g]quinazolin-2-amine?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-10-nitropyrido[3,4-g]quinazolin-2-amine (CID 162667180) is N-[3-(4-methylpiperazin-1-yl)propyl]-10-nitropyrido[3,4-g]quinazolin-2-amine.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-10-nitropyrido[3,4-g]quinazolin-2-amine?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-10-nitropyrido[3,4-g]quinazolin-2-amine is CN1CCN(CCCNc2ncc3cc4cnccc4c([N+](=O)[O-])c3n2)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-10-nitropyrido[3,4-g]quinazolin-2-amine?
The InChIKey is LQYZPOJQAKCFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-24-7-9-25(10-8-24)6-2-4-21-19-22-13-15-11-14-12-20-5-3-16(14)18(26(27)28)17(15)23-19/h3,5,11-13H,2,4,6-10H2,1H3,(H,21,22,23).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-10-nitropyrido[3,4-g]quinazolin-2-amine?
N-[3-(4-methylpiperazin-1-yl)propyl]-10-nitropyrido[3,4-g]quinazolin-2-amine has a molecular weight of 381.44 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]-10-nitropyrido[3,4-g]quinazolin-2-amine is sourced from PubChem (CID 162667180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).