6-[2-(dimethylamino)ethoxy]-2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine

C26H28FN5O — CID 10343486

IUPAC6-[2-(dimethylamino)ethoxy]-2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine
SMILESCc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2cc(OCCN(C)C)ccc2n1
InChIInChI=1S/C26H28FN5O/c1-18-16-19(27)10-12-23(18)28-26-29-24-13-11-21(33-15-14-31(2)3)17-22(24)25(30-26)32(4)20-8-6-5-7-9-20/h5-13,16-17H,14-15H2,1-4H3,(H,28,29,30)
InChIKeyHYNMYGBTSOHIHG-UHFFFAOYSA-N
MW445.54 g/mol
LogP5.53
Rot. Bonds8

About 6-[2-(dimethylamino)ethoxy]-2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine

6-[2-(dimethylamino)ethoxy]-2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine (PubChem CID 10343486) has the molecular formula C26H28FN5O and a molecular weight of 445.54 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine
PubChem CID10343486
Molecular FormulaC26H28FN5O
Molecular Weight445.54 g/mol
Exact Mass445.23
IUPAC Name6-[2-(dimethylamino)ethoxy]-2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine
SMILESCc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2cc(OCCN(C)C)ccc2n1
InChIInChI=1S/C26H28FN5O/c1-18-16-19(27)10-12-23(18)28-26-29-24-13-11-21(33-15-14-31(2)3)17-22(24)25(30-26)32(4)20-8-6-5-7-9-20/h5-13,16-17H,14-15H2,1-4H3,(H,28,29,30)
InChIKeyHYNMYGBTSOHIHG-UHFFFAOYSA-N
XLogP5.53
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-(dimethylamino)ethoxy]-2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine with MolForge

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Related Compounds

Verubulin
CID 11414799
5-{[1-(2-Fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
CID 23729147
CP-31398
CID 9950868
Evp4593
CID 509554
Src Kinase Inhibitor I
CID 1474853
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline
CID 447021
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
N~2~-(3-methoxyphenyl)-N~4~-(tetrahydro-2-furanylmethyl)-2,4-quinazolinediamine hydrochloride
CID 2951909

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine (CID 10343486) is 6-[2-(dimethylamino)ethoxy]-2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine is Cc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2cc(OCCN(C)C)ccc2n1.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine?
The InChIKey is HYNMYGBTSOHIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O/c1-18-16-19(27)10-12-23(18)28-26-29-24-13-11-21(33-15-14-31(2)3)17-22(24)25(30-26)32(4)20-8-6-5-7-9-20/h5-13,16-17H,14-15H2,1-4H3,(H,28,29,30).
What are the key properties of 6-[2-(dimethylamino)ethoxy]-2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine?
6-[2-(dimethylamino)ethoxy]-2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine has a molecular weight of 445.54 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine is sourced from PubChem (CID 10343486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).