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

C12H9N5O2 — CID 137332126

IUPACN-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine
SMILESCNc1ncc2cc3cnccc3c([N+](=O)[O-])c2n1
InChIInChI=1S/C12H9N5O2/c1-13-12-15-6-8-4-7-5-14-3-2-9(7)11(17(18)19)10(8)16-12/h2-6H,1H3,(H,13,15,16)
InChIKeyWJQCMHKMNXKJQR-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.13
Rot. Bonds2

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

N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine (PubChem CID 137332126) has the molecular formula C12H9N5O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine.

Molecular Properties

Compound NameN-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine
PubChem CID137332126
Molecular FormulaC12H9N5O2
Molecular Weight255.24 g/mol
Exact Mass255.08
IUPAC NameN-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine
SMILESCNc1ncc2cc3cnccc3c([N+](=O)[O-])c2n1
InChIInChI=1S/C12H9N5O2/c1-13-12-15-6-8-4-7-5-14-3-2-9(7)11(17(18)19)10(8)16-12/h2-6H,1H3,(H,13,15,16)
InChIKeyWJQCMHKMNXKJQR-UHFFFAOYSA-N
XLogP2.13
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.13
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
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
4-N-[(2-nitrophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328078

Frequently Asked Questions

What is the IUPAC name of N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine?
The IUPAC name of N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine (CID 137332126) is N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine.
What is the SMILES notation for N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine?
The canonical SMILES for N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine is CNc1ncc2cc3cnccc3c([N+](=O)[O-])c2n1.
What is the InChIKey of N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine?
The InChIKey is WJQCMHKMNXKJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2/c1-13-12-15-6-8-4-7-5-14-3-2-9(7)11(17(18)19)10(8)16-12/h2-6H,1H3,(H,13,15,16).
What are the key properties of N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine?
N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine has a molecular weight of 255.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine is sourced from PubChem (CID 137332126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).