N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide

C19H24FN5O2S — CID 153319514

IUPACN-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide
SMILES[C-]#[N+]c1cc2c(N3CCCC(CNS(=O)(=O)C(C)(C)C)C3)ncnc2cc1F
InChIInChI=1S/C19H24FN5O2S/c1-19(2,3)28(26,27)24-10-13-6-5-7-25(11-13)18-14-8-17(21-4)15(20)9-16(14)22-12-23-18/h8-9,12-13,24H,5-7,10-11H2,1-3H3
InChIKeyONRSTPHUVNYXPH-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.25
Rot. Bonds4

About N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide

N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide (PubChem CID 153319514) has the molecular formula C19H24FN5O2S and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide
PubChem CID153319514
Molecular FormulaC19H24FN5O2S
Molecular Weight405.50 g/mol
Exact Mass405.16
IUPAC NameN-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide
SMILES[C-]#[N+]c1cc2c(N3CCCC(CNS(=O)(=O)C(C)(C)C)C3)ncnc2cc1F
InChIInChI=1S/C19H24FN5O2S/c1-19(2,3)28(26,27)24-10-13-6-5-7-25(11-13)18-14-8-17(21-4)15(20)9-16(14)22-12-23-18/h8-9,12-13,24H,5-7,10-11H2,1-3H3
InChIKeyONRSTPHUVNYXPH-UHFFFAOYSA-N
XLogP3.25
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide with MolForge

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Related Compounds

4-[4-(2,5-Difluorophenyl)sulfonylpiperazin-1-yl]quinazoline
CID 9207874
4-amino-6-[[(1S)-1-[6-fluoro-4-(2-methylsulfonylethylamino)-3-phenylquinolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 49872925
N4-(2-cyclohexylethyl)quinazoline-4,6-diamine
CID 509537
N4-[2-(4-fluorophenyl)ethyl]quinazoline-4,6-diamine
CID 509549
4-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]quinazoline
CID 9460093
2-[4-(methylsulfonyl)-1-piperazinyl]-N-(1-phenylethyl)-4-quinazolinamine
CID 2954542
2-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)quinazolin-4-yl]amino]-N-phenylethanesulfonamide
CID 44129212
N-{4-[(4-Dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-methanesulfonamide
CID 44401460
Butane-1-sulfonic acid {4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-amide
CID 44401508
2-[[6-iodo-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]-N-phenylethanesulfonamide
CID 45379922
3-((6-aminoquinazolin-4-yl)amino)-4-(dimethylamino)-N-methylbenzenesulfonamide
CID 52932687
4-(dimethylamino)-N-methyl-3-[[6-(methylamino)quinazolin-4-yl]amino]benzenesulfonamide
CID 52936114

Frequently Asked Questions

What is the IUPAC name of N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide (CID 153319514) is N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide is [C-]#[N+]c1cc2c(N3CCCC(CNS(=O)(=O)C(C)(C)C)C3)ncnc2cc1F.
What is the InChIKey of N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide?
The InChIKey is ONRSTPHUVNYXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2S/c1-19(2,3)28(26,27)24-10-13-6-5-7-25(11-13)18-14-8-17(21-4)15(20)9-16(14)22-12-23-18/h8-9,12-13,24H,5-7,10-11H2,1-3H3.
What are the key properties of N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide?
N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide has a molecular weight of 405.50 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 153319514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).