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

C18H20N6O2 — CID 162658681

IUPAC10-nitro-N-(2-piperidin-1-ylethyl)pyrido[3,4-g]quinazolin-2-amine
SMILESO=[N+]([O-])c1c2ccncc2cc2cnc(NCCN3CCCCC3)nc12
InChIInChI=1S/C18H20N6O2/c25-24(26)17-15-4-5-19-11-13(15)10-14-12-21-18(22-16(14)17)20-6-9-23-7-2-1-3-8-23/h4-5,10-12H,1-3,6-9H2,(H,20,21,22)
InChIKeyKBFCQUOKYTYRRC-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.98
Rot. Bonds5

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

10-nitro-N-(2-piperidin-1-ylethyl)pyrido[3,4-g]quinazolin-2-amine (PubChem CID 162658681) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 10-nitro-N-(2-piperidin-1-ylethyl)pyrido[3,4-g]quinazolin-2-amine.

Molecular Properties

Compound Name10-nitro-N-(2-piperidin-1-ylethyl)pyrido[3,4-g]quinazolin-2-amine
PubChem CID162658681
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name10-nitro-N-(2-piperidin-1-ylethyl)pyrido[3,4-g]quinazolin-2-amine
SMILESO=[N+]([O-])c1c2ccncc2cc2cnc(NCCN3CCCCC3)nc12
InChIInChI=1S/C18H20N6O2/c25-24(26)17-15-4-5-19-11-13(15)10-14-12-21-18(22-16(14)17)20-6-9-23-7-2-1-3-8-23/h4-5,10-12H,1-3,6-9H2,(H,20,21,22)
InChIKeyKBFCQUOKYTYRRC-UHFFFAOYSA-N
XLogP2.98
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-(2-piperidin-1-ylethyl)pyrido[3,4-g]quinazolin-2-amine?
The IUPAC name of 10-nitro-N-(2-piperidin-1-ylethyl)pyrido[3,4-g]quinazolin-2-amine (CID 162658681) is 10-nitro-N-(2-piperidin-1-ylethyl)pyrido[3,4-g]quinazolin-2-amine.
What is the SMILES notation for 10-nitro-N-(2-piperidin-1-ylethyl)pyrido[3,4-g]quinazolin-2-amine?
The canonical SMILES for 10-nitro-N-(2-piperidin-1-ylethyl)pyrido[3,4-g]quinazolin-2-amine is O=[N+]([O-])c1c2ccncc2cc2cnc(NCCN3CCCCC3)nc12.
What is the InChIKey of 10-nitro-N-(2-piperidin-1-ylethyl)pyrido[3,4-g]quinazolin-2-amine?
The InChIKey is KBFCQUOKYTYRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-24(26)17-15-4-5-19-11-13(15)10-14-12-21-18(22-16(14)17)20-6-9-23-7-2-1-3-8-23/h4-5,10-12H,1-3,6-9H2,(H,20,21,22).
What are the key properties of 10-nitro-N-(2-piperidin-1-ylethyl)pyrido[3,4-g]quinazolin-2-amine?
10-nitro-N-(2-piperidin-1-ylethyl)pyrido[3,4-g]quinazolin-2-amine has a molecular weight of 352.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-nitro-N-(2-piperidin-1-ylethyl)pyrido[3,4-g]quinazolin-2-amine is sourced from PubChem (CID 162658681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).