N,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine

C16H14N4O2 — CID 11150552

IUPACN,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine
SMILESCc1nc(N(C)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1
InChIInChI=1S/C16H14N4O2/c1-11-17-15-6-4-3-5-14(15)16(18-11)19(2)12-7-9-13(10-8-12)20(21)22/h3-10H,1-2H3
InChIKeyDIHCMDVTRMTNEH-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.61
Rot. Bonds3

About N,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine

N,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine (PubChem CID 11150552) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine
PubChem CID11150552
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine
SMILESCc1nc(N(C)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1
InChIInChI=1S/C16H14N4O2/c1-11-17-15-6-4-3-5-14(15)16(18-11)19(2)12-7-9-13(10-8-12)20(21)22/h3-10H,1-2H3
InChIKeyDIHCMDVTRMTNEH-UHFFFAOYSA-N
XLogP3.61
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.61
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'}

Analyze N,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-dimethyl-4-N-(2-methyl-6-nitroquinazolin-4-yl)benzene-1,4-diamine
CID 68515327
N-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide
CID 11638343
N-methyl-4-nitro-N-phenylaniline
CID 11287619
N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide
CID 122550234
methyl N-[[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]carbamoylamino]carbamate
CID 59242074
N-methyl-N-(4-nitrophenyl)-1H-benzimidazol-2-amine
CID 58577716
2-methyl-4-[(4-nitrophenyl)methylsulfanyl]quinazoline
CID 7145378
2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 80798383
N,2-dimethyl-N-(1-methylbenzotriazol-5-yl)quinazolin-4-amine
CID 59648370
2-chloro-N-(4-methoxyphenyl)-N-methyl-6-nitroquinazolin-4-amine
CID 11609884
4-methyl-2-(4-nitrophenyl)quinazoline
CID 742061
N-hydroxy-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide
CID 122550155

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine?
The IUPAC name of N,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine (CID 11150552) is N,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine?
The canonical SMILES for N,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine is Cc1nc(N(C)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1.
What is the InChIKey of N,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine?
The InChIKey is DIHCMDVTRMTNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11-17-15-6-4-3-5-14(15)16(18-11)19(2)12-7-9-13(10-8-12)20(21)22/h3-10H,1-2H3.
What are the key properties of N,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine?
N,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine has a molecular weight of 294.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine is sourced from PubChem (CID 11150552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).