methyl 2-(dimethylamino)-4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazoline-6-carboxylate

C26H24FN5O3 — CID 25027102

IUPACmethyl 2-(dimethylamino)-4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(N(C)C)nc(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)c2c1
InChIInChI=1S/C26H24FN5O3/c1-32(2)26-30-22-13-8-18(25(34)35-3)14-21(22)23(31-26)28-15-16-4-11-20(12-5-16)29-24(33)17-6-9-19(27)10-7-17/h4-14H,15H2,1-3H3,(H,29,33)(H,28,30,31)
InChIKeyLTMRAHNMLFYWGG-UHFFFAOYSA-N
MW473.51 g/mol
LogP4.49
Rot. Bonds7

About methyl 2-(dimethylamino)-4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazoline-6-carboxylate

methyl 2-(dimethylamino)-4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazoline-6-carboxylate (PubChem CID 25027102) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazoline-6-carboxylate
PubChem CID25027102
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC Namemethyl 2-(dimethylamino)-4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(N(C)C)nc(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)c2c1
InChIInChI=1S/C26H24FN5O3/c1-32(2)26-30-22-13-8-18(25(34)35-3)14-21(22)23(31-26)28-15-16-4-11-20(12-5-16)29-24(33)17-6-9-19(27)10-7-17/h4-14H,15H2,1-3H3,(H,29,33)(H,28,30,31)
InChIKeyLTMRAHNMLFYWGG-UHFFFAOYSA-N
XLogP4.49
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-(dimethylamino)-4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazoline-6-carboxylate with MolForge

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Related Compounds

3-[6-[2-(2,4-Difluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]benzoic acid
CID 11717959
Stk008107
CID 694929
Ethyl 4-((2-(pyridin-3-yl)quinazolin-4-yl)amino)benzoate
CID 1186128
N-(4-Carboxy-4-{4-[(2,4-diamino-quinazolin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid
CID 10030947
N-(4-Carboxy-4-{4-[(2,4-diamino-5-methyl-quinazolin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid
CID 11478803
Benzyl 2,4-diaminoquinazoline-6-carboxylate
CID 487401
(2,4-Diaminoquinazolin-6-yl)methyl benzoate
CID 487402
4-[(4-Phenylquinazolin-2-yl)amino]benzoic acid
CID 776448
(2,4-Diaminoquinazolin-6-yl)methyl anthracene-9-carboxylate
CID 3008593
4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-5H-pyrimido[5,4-b]indole-8-carboxylic acid methyl ester
CID 11247947
ethyl 4-(3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxopyridin-1(2H)-yl)benzoate
CID 24879244
N-[4-({[2-(dimethylamino)-7-(hydroxymethyl)quinazolin-4-yl]amino}methyl)phenyl]-4-fluorobenzamide
CID 25026111

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)-4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazoline-6-carboxylate?
The IUPAC name of methyl 2-(dimethylamino)-4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazoline-6-carboxylate (CID 25027102) is methyl 2-(dimethylamino)-4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazoline-6-carboxylate.
What is the SMILES notation for methyl 2-(dimethylamino)-4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazoline-6-carboxylate?
The canonical SMILES for methyl 2-(dimethylamino)-4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazoline-6-carboxylate is COC(=O)c1ccc2nc(N(C)C)nc(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)c2c1.
What is the InChIKey of methyl 2-(dimethylamino)-4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazoline-6-carboxylate?
The InChIKey is LTMRAHNMLFYWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3/c1-32(2)26-30-22-13-8-18(25(34)35-3)14-21(22)23(31-26)28-15-16-4-11-20(12-5-16)29-24(33)17-6-9-19(27)10-7-17/h4-14H,15H2,1-3H3,(H,29,33)(H,28,30,31).
What are the key properties of methyl 2-(dimethylamino)-4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazoline-6-carboxylate?
methyl 2-(dimethylamino)-4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazoline-6-carboxylate has a molecular weight of 473.51 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazoline-6-carboxylate is sourced from PubChem (CID 25027102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).