N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine

C20H15N5O3 — CID 162431934

IUPACN-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine
SMILESCc1ccc(Oc2ccc(Nc3ncnc4ccc([N+](=O)[O-])cc34)cc2)cn1
InChIInChI=1S/C20H15N5O3/c1-13-2-6-17(11-21-13)28-16-7-3-14(4-8-16)24-20-18-10-15(25(26)27)5-9-19(18)22-12-23-20/h2-12H,1H3,(H,22,23,24)
InChIKeyJCOWSYAUQFMANZ-UHFFFAOYSA-N
MW373.37 g/mol
LogP4.78
Rot. Bonds5

About N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine

N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine (PubChem CID 162431934) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine.

Molecular Properties

Compound NameN-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine
PubChem CID162431934
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC NameN-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine
SMILESCc1ccc(Oc2ccc(Nc3ncnc4ccc([N+](=O)[O-])cc34)cc2)cn1
InChIInChI=1S/C20H15N5O3/c1-13-2-6-17(11-21-13)28-16-7-3-14(4-8-16)24-20-18-10-15(25(26)27)5-9-19(18)22-12-23-20/h2-12H,1H3,(H,22,23,24)
InChIKeyJCOWSYAUQFMANZ-UHFFFAOYSA-N
XLogP4.78
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 54.78
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'}

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Related Compounds

N-(4-methylphenyl)-6-nitroquinazolin-4-amine
CID 127027330
N-[2-fluoro-5-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine
CID 162431691
ethane;N-[4-[(6-ethenyl-3-pyridinyl)oxy]-3-methylphenyl]-6-nitroquinazolin-4-amine
CID 162431536
(1R)-1-[5-[2-methyl-4-[(6-nitroquinazolin-4-yl)amino]phenoxy]-2-pyridinyl]ethane-1,2-diol
CID 162431881
(1S)-1-[5-[2-methyl-4-[(6-nitroquinazolin-4-yl)amino]phenoxy]-2-pyridinyl]ethane-1,2-diol
CID 162431824
7-methyl-6-nitro-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 167668769
N-(1H-indol-5-yl)-6-nitroquinazolin-4-amine;hydrochloride
CID 23366741
N-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine
CID 23366750
6-iodo-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;hydrochloride
CID 66623307
3-[(6-nitroquinazolin-4-yl)amino]phenol
CID 7200288
2-methyl-5-(3-nitrophenoxy)pyridine
CID 59712225
6-nitro-N-[2-(4-phenoxyphenyl)ethyl]quinazolin-4-amine
CID 175100057

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine?
The IUPAC name of N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine (CID 162431934) is N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine.
What is the SMILES notation for N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine?
The canonical SMILES for N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine is Cc1ccc(Oc2ccc(Nc3ncnc4ccc([N+](=O)[O-])cc34)cc2)cn1.
What is the InChIKey of N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine?
The InChIKey is JCOWSYAUQFMANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c1-13-2-6-17(11-21-13)28-16-7-3-14(4-8-16)24-20-18-10-15(25(26)27)5-9-19(18)22-12-23-20/h2-12H,1H3,(H,22,23,24).
What are the key properties of N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine?
N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine has a molecular weight of 373.37 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine is sourced from PubChem (CID 162431934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).