N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]methanesulfonamide

C18H19FN4O2S — CID 28786436

IUPACN-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]methanesulfonamide
SMILESCc1cccc2c(NCc3ccccc3F)nc(CNS(C)(=O)=O)nc12
InChIInChI=1S/C18H19FN4O2S/c1-12-6-5-8-14-17(12)22-16(11-21-26(2,24)25)23-18(14)20-10-13-7-3-4-9-15(13)19/h3-9,21H,10-11H2,1-2H3,(H,20,22,23)
InChIKeyBTRKWBUKVCWOJB-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.74
Rot. Bonds6

About N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]methanesulfonamide

N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]methanesulfonamide (PubChem CID 28786436) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]methanesulfonamide
PubChem CID28786436
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC NameN-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]methanesulfonamide
SMILESCc1cccc2c(NCc3ccccc3F)nc(CNS(C)(=O)=O)nc12
InChIInChI=1S/C18H19FN4O2S/c1-12-6-5-8-14-17(12)22-16(11-21-26(2,24)25)23-18(14)20-10-13-7-3-4-9-15(13)19/h3-9,21H,10-11H2,1-2H3,(H,20,22,23)
InChIKeyBTRKWBUKVCWOJB-UHFFFAOYSA-N
XLogP2.74
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80773003
N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide
CID 103611752
8-methoxy-4-N-[(2-methylphenyl)methyl]quinazoline-2,4-diamine
CID 19988693
4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80980852
2-tert-butyl-6-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 80979589
(E)-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-phenylethenesulfonamide
CID 42322174
8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine
CID 133368699
4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline
CID 63085684
6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271586
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113142476
3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 63453833
2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole
CID 60973900

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]methanesulfonamide (CID 28786436) is N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]methanesulfonamide is Cc1cccc2c(NCc3ccccc3F)nc(CNS(C)(=O)=O)nc12.
What is the InChIKey of N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]methanesulfonamide?
The InChIKey is BTRKWBUKVCWOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c1-12-6-5-8-14-17(12)22-16(11-21-26(2,24)25)23-18(14)20-10-13-7-3-4-9-15(13)19/h3-9,21H,10-11H2,1-2H3,(H,20,22,23).
What are the key properties of N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]methanesulfonamide?
N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]methanesulfonamide has a molecular weight of 374.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 28786436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).