10-nitropyrido[3,4-g]quinazolin-2-amine

C11H7N5O2 — CID 127048474

IUPAC10-nitropyrido[3,4-g]quinazolin-2-amine
SMILESNc1ncc2cc3cnccc3c([N+](=O)[O-])c2n1
InChIInChI=1S/C11H7N5O2/c12-11-14-5-7-3-6-4-13-2-1-8(6)10(16(17)18)9(7)15-11/h1-5H,(H2,12,14,15)
InChIKeyYHUAZSANAXCOGS-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.67
Rot. Bonds1

About 10-nitropyrido[3,4-g]quinazolin-2-amine

10-nitropyrido[3,4-g]quinazolin-2-amine (PubChem CID 127048474) has the molecular formula C11H7N5O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is 10-nitropyrido[3,4-g]quinazolin-2-amine.

Molecular Properties

Compound Name10-nitropyrido[3,4-g]quinazolin-2-amine
PubChem CID127048474
Molecular FormulaC11H7N5O2
Molecular Weight241.21 g/mol
Exact Mass241.06
IUPAC Name10-nitropyrido[3,4-g]quinazolin-2-amine
SMILESNc1ncc2cc3cnccc3c([N+](=O)[O-])c2n1
InChIInChI=1S/C11H7N5O2/c12-11-14-5-7-3-6-4-13-2-1-8(6)10(16(17)18)9(7)15-11/h1-5H,(H2,12,14,15)
InChIKeyYHUAZSANAXCOGS-UHFFFAOYSA-N
XLogP1.67
TPSA107.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

Baquiloprim
CID 9861430
Pyrido[3,4-G]quinazoline-2,10-Diamine
CID 118988439
Pyrido[3,4-G]quinazolin-2-Amine
CID 118988440
2-N-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine
CID 137332125
N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine
CID 137332126
Haspin-IN-1
CID 156009110
4-N-(2-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328052
5-[(7,9,9-trimethyl-10H-1,10-phenanthrolin-5-yl)methyl]pyrimidine-2,4-diamine
CID 44301313
N8-(pyrimidin-2-yl)quinoline-2,8-diamine
CID 20690188
5-[(4-Methyl-8-nitroquinolin-6-yl)methyl]pyrimidine-2,4-diamine
CID 23323050
5-[(8-Amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
CID 23323066
4-(7-nitro-1H-indol-3-yl)pyrimidin-2-amine
CID 53363044

Frequently Asked Questions

What is the IUPAC name of 10-nitropyrido[3,4-g]quinazolin-2-amine?
The IUPAC name of 10-nitropyrido[3,4-g]quinazolin-2-amine (CID 127048474) is 10-nitropyrido[3,4-g]quinazolin-2-amine.
What is the SMILES notation for 10-nitropyrido[3,4-g]quinazolin-2-amine?
The canonical SMILES for 10-nitropyrido[3,4-g]quinazolin-2-amine is Nc1ncc2cc3cnccc3c([N+](=O)[O-])c2n1.
What is the InChIKey of 10-nitropyrido[3,4-g]quinazolin-2-amine?
The InChIKey is YHUAZSANAXCOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O2/c12-11-14-5-7-3-6-4-13-2-1-8(6)10(16(17)18)9(7)15-11/h1-5H,(H2,12,14,15).
What are the key properties of 10-nitropyrido[3,4-g]quinazolin-2-amine?
10-nitropyrido[3,4-g]quinazolin-2-amine has a molecular weight of 241.21 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-nitropyrido[3,4-g]quinazolin-2-amine is sourced from PubChem (CID 127048474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).