2-chloro-N-methyl-N-(4-nitrophenyl)quinazolin-4-amine

C15H11ClN4O2 — CID 11415786

IUPAC2-chloro-N-methyl-N-(4-nitrophenyl)quinazolin-4-amine
SMILESCN(c1ccc([N+](=O)[O-])cc1)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C15H11ClN4O2/c1-19(10-6-8-11(9-7-10)20(21)22)14-12-4-2-3-5-13(12)17-15(16)18-14/h2-9H,1H3
InChIKeyWXELIIFXJNHKGQ-UHFFFAOYSA-N
MW314.73 g/mol
LogP3.96
Rot. Bonds3

About 2-chloro-N-methyl-N-(4-nitrophenyl)quinazolin-4-amine

2-chloro-N-methyl-N-(4-nitrophenyl)quinazolin-4-amine (PubChem CID 11415786) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(4-nitrophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(4-nitrophenyl)quinazolin-4-amine
PubChem CID11415786
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC Name2-chloro-N-methyl-N-(4-nitrophenyl)quinazolin-4-amine
SMILESCN(c1ccc([N+](=O)[O-])cc1)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C15H11ClN4O2/c1-19(10-6-8-11(9-7-10)20(21)22)14-12-4-2-3-5-13(12)17-15(16)18-14/h2-9H,1H3
InChIKeyWXELIIFXJNHKGQ-UHFFFAOYSA-N
XLogP3.96
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

6-Nitroquipazine
CID 5012
2,4-Diamino-6-nitroquinazoline
CID 252163
N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-N'-(4-nitrophenyl)ethane-1,2-diamine
CID 2955894
Tcmdc-123784
CID 5081716
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
N6-benzylquinazoline-2,4,6-triamine
CID 462120
N-(3-Bromophenyl)-6-nitroquinazolin-4-amine
CID 5328041
N4-Phenylquinazoline-4,6-diamine
CID 5328187
6-Amino-4-[(3-methylphenyl)amino]quinazoline
CID 10220590
N-(3-chlorophenyl)-6-nitroquinazolin-4-amine
CID 11695129
2-(3-Methyl-piperazin-1-yl)-6-nitro-quinoline
CID 44286607
4-(4-Methylpiperazin-1-yl)-2-(3-nitrophenyl)quinazoline
CID 949366

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(4-nitrophenyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-methyl-N-(4-nitrophenyl)quinazolin-4-amine (CID 11415786) is 2-chloro-N-methyl-N-(4-nitrophenyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(4-nitrophenyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(4-nitrophenyl)quinazolin-4-amine is CN(c1ccc([N+](=O)[O-])cc1)c1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-methyl-N-(4-nitrophenyl)quinazolin-4-amine?
The InChIKey is WXELIIFXJNHKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c1-19(10-6-8-11(9-7-10)20(21)22)14-12-4-2-3-5-13(12)17-15(16)18-14/h2-9H,1H3.
What are the key properties of 2-chloro-N-methyl-N-(4-nitrophenyl)quinazolin-4-amine?
2-chloro-N-methyl-N-(4-nitrophenyl)quinazolin-4-amine has a molecular weight of 314.73 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(4-nitrophenyl)quinazolin-4-amine is sourced from PubChem (CID 11415786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).