N-(3-isocyanophenyl)-8-methylquinazolin-2-amine

C16H12N4 — CID 59615256

IUPACN-(3-isocyanophenyl)-8-methylquinazolin-2-amine
SMILES[C-]#[N+]c1cccc(Nc2ncc3cccc(C)c3n2)c1
InChIInChI=1S/C16H12N4/c1-11-5-3-6-12-10-18-16(20-15(11)12)19-14-8-4-7-13(9-14)17-2/h3-10H,1H3,(H,18,19,20)
InChIKeyGVGBEBMIGVHPCH-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.23
Rot. Bonds2

About N-(3-isocyanophenyl)-8-methylquinazolin-2-amine

N-(3-isocyanophenyl)-8-methylquinazolin-2-amine (PubChem CID 59615256) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(3-isocyanophenyl)-8-methylquinazolin-2-amine.

Molecular Properties

Compound NameN-(3-isocyanophenyl)-8-methylquinazolin-2-amine
PubChem CID59615256
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC NameN-(3-isocyanophenyl)-8-methylquinazolin-2-amine
SMILES[C-]#[N+]c1cccc(Nc2ncc3cccc(C)c3n2)c1
InChIInChI=1S/C16H12N4/c1-11-5-3-6-12-10-18-16(20-15(11)12)19-14-8-4-7-13(9-14)17-2/h3-10H,1H3,(H,18,19,20)
InChIKeyGVGBEBMIGVHPCH-UHFFFAOYSA-N
XLogP4.23
TPSA42.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide
CID 59615252
4-[(8-methylquinazolin-2-yl)amino]benzoic acid
CID 150737082
N-methyl-4-[(8-methylquinazolin-2-yl)amino]-1H-pyrrole-2-carboxamide
CID 170037856
1-methyl-6-N-(8-methylquinazolin-2-yl)indazole-4,6-diamine
CID 59615359
N-cyclopropyl-2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazole-4-carboxamide
CID 56961741
N',N'-dimethyl-N-[[6-[(8-methylquinazolin-2-yl)amino]-2H-indazol-3-yl]methyl]ethane-1,2-diamine
CID 59615302
2-cyclopropyl-6-N-(8-methylquinazolin-2-yl)-1H-benzimidazole-4,6-diamine
CID 56961805
2-chloro-8-methylquinazoline
CID 53416811
ethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate
CID 59615247
4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane
CID 91476448
N-[3-(4-methylpiperazin-1-yl)phenyl]-8-prop-1-en-2-ylquinazolin-2-amine
CID 145226199
4-methyl-N-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]oxane-4-carboxamide
CID 142717111

Frequently Asked Questions

What is the IUPAC name of N-(3-isocyanophenyl)-8-methylquinazolin-2-amine?
The IUPAC name of N-(3-isocyanophenyl)-8-methylquinazolin-2-amine (CID 59615256) is N-(3-isocyanophenyl)-8-methylquinazolin-2-amine.
What is the SMILES notation for N-(3-isocyanophenyl)-8-methylquinazolin-2-amine?
The canonical SMILES for N-(3-isocyanophenyl)-8-methylquinazolin-2-amine is [C-]#[N+]c1cccc(Nc2ncc3cccc(C)c3n2)c1.
What is the InChIKey of N-(3-isocyanophenyl)-8-methylquinazolin-2-amine?
The InChIKey is GVGBEBMIGVHPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-11-5-3-6-12-10-18-16(20-15(11)12)19-14-8-4-7-13(9-14)17-2/h3-10H,1H3,(H,18,19,20).
What are the key properties of N-(3-isocyanophenyl)-8-methylquinazolin-2-amine?
N-(3-isocyanophenyl)-8-methylquinazolin-2-amine has a molecular weight of 260.30 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-isocyanophenyl)-8-methylquinazolin-2-amine is sourced from PubChem (CID 59615256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).