N-[4-[[[2-(dimethylamino)-7-ethylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide

C26H26FN5O — CID 25026518

IUPACN-[4-[[[2-(dimethylamino)-7-ethylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide
SMILESCCc1ccc2c(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)nc(N(C)C)nc2c1
InChIInChI=1S/C26H26FN5O/c1-4-17-7-14-22-23(15-17)30-26(32(2)3)31-24(22)28-16-18-5-12-21(13-6-18)29-25(33)19-8-10-20(27)11-9-19/h5-15H,4,16H2,1-3H3,(H,29,33)(H,28,30,31)
InChIKeyNGLYERQRYRDLCH-UHFFFAOYSA-N
MW443.53 g/mol
LogP5.26
Rot. Bonds7

About N-[4-[[[2-(dimethylamino)-7-ethylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide

N-[4-[[[2-(dimethylamino)-7-ethylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide (PubChem CID 25026518) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[4-[[[2-(dimethylamino)-7-ethylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[[[2-(dimethylamino)-7-ethylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide
PubChem CID25026518
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC NameN-[4-[[[2-(dimethylamino)-7-ethylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide
SMILESCCc1ccc2c(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)nc(N(C)C)nc2c1
InChIInChI=1S/C26H26FN5O/c1-4-17-7-14-22-23(15-17)30-26(32(2)3)31-24(22)28-16-18-5-12-21(13-6-18)29-25(33)19-8-10-20(27)11-9-19/h5-15H,4,16H2,1-3H3,(H,29,33)(H,28,30,31)
InChIKeyNGLYERQRYRDLCH-UHFFFAOYSA-N
XLogP5.26
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[[2-(dimethylamino)-7-ethylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide with MolForge

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Related Compounds

Fatty acids, C16-18, sulfo, 1-Me esters, sodium salts
CID 53346507
Bms-833923
CID 57662985
Senexin B
CID 71661259
1-(4-(Benzylamino)-5,6,7,8-Tetrahydropyrido[2,3-D]Pyrimidin-2-Yl)-2-Methyl-1H-Indole-4-Carboxamide
CID 122685543
6-((Z)-Amino(Imino)Methyl)-N-(4-(Aminomethyl)Phenyl)-4-(Pyrimidin-2-Ylamino)-2-Naphthamide
CID 448605
3-(2-aminoquinazolin-6-yl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 15991573
Sgi-1027
CID 24858111
N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 11518031
N-{2-[(N,N-Diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)quinazolin-6-YL]benzamide
CID 15991575
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16086088
Aminoquinazoline amide, 35
CID 25138148

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(dimethylamino)-7-ethylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-[[[2-(dimethylamino)-7-ethylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide (CID 25026518) is N-[4-[[[2-(dimethylamino)-7-ethylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[[[2-(dimethylamino)-7-ethylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[[[2-(dimethylamino)-7-ethylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide is CCc1ccc2c(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)nc(N(C)C)nc2c1.
What is the InChIKey of N-[4-[[[2-(dimethylamino)-7-ethylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide?
The InChIKey is NGLYERQRYRDLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c1-4-17-7-14-22-23(15-17)30-26(32(2)3)31-24(22)28-16-18-5-12-21(13-6-18)29-25(33)19-8-10-20(27)11-9-19/h5-15H,4,16H2,1-3H3,(H,29,33)(H,28,30,31).
What are the key properties of N-[4-[[[2-(dimethylamino)-7-ethylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide?
N-[4-[[[2-(dimethylamino)-7-ethylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide has a molecular weight of 443.53 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(dimethylamino)-7-ethylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 25026518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).