6-(4-fluorophenyl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-8-morpholin-4-ylsulfonylquinazolin-4-amine

C25H25FN6O3S — CID 175190898

IUPAC6-(4-fluorophenyl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-8-morpholin-4-ylsulfonylquinazolin-4-amine
SMILESCc1ccc(C(C)Nc2ncnc3c(S(=O)(=O)N4CCOCC4)cc(-c4ccc(F)cc4)cc23)nn1
InChIInChI=1S/C25H25FN6O3S/c1-16-3-8-22(31-30-16)17(2)29-25-21-13-19(18-4-6-20(26)7-5-18)14-23(24(21)27-15-28-25)36(33,34)32-9-11-35-12-10-32/h3-8,13-15,17H,9-12H2,1-2H3,(H,27,28,29)
InChIKeyCVXGFTCNUQQCKY-UHFFFAOYSA-N
MW508.58 g/mol
LogP3.73
Rot. Bonds6

About 6-(4-fluorophenyl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-8-morpholin-4-ylsulfonylquinazolin-4-amine

6-(4-fluorophenyl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-8-morpholin-4-ylsulfonylquinazolin-4-amine (PubChem CID 175190898) has the molecular formula C25H25FN6O3S and a molecular weight of 508.58 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-8-morpholin-4-ylsulfonylquinazolin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-8-morpholin-4-ylsulfonylquinazolin-4-amine
PubChem CID175190898
Molecular FormulaC25H25FN6O3S
Molecular Weight508.58 g/mol
Exact Mass508.17
IUPAC Name6-(4-fluorophenyl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-8-morpholin-4-ylsulfonylquinazolin-4-amine
SMILESCc1ccc(C(C)Nc2ncnc3c(S(=O)(=O)N4CCOCC4)cc(-c4ccc(F)cc4)cc23)nn1
InChIInChI=1S/C25H25FN6O3S/c1-16-3-8-22(31-30-16)17(2)29-25-21-13-19(18-4-6-20(26)7-5-18)14-23(24(21)27-15-28-25)36(33,34)32-9-11-35-12-10-32/h3-8,13-15,17H,9-12H2,1-2H3,(H,27,28,29)
InChIKeyCVXGFTCNUQQCKY-UHFFFAOYSA-N
XLogP3.73
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.58
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-5-morpholin-4-ylsulfonylphthalazin-1-amine
CID 164823008
6-(4-fluorophenyl)-8-iodo-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine
CID 169093085
6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-ol
CID 155339950
6-(3-chloropyrazol-1-yl)-8-methoxy-N-[1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine
CID 155728818
8-methoxy-6-(3-methylpyrazol-1-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine
CID 155339874
6-(4-fluorophenyl)-8-[(3R)-oxolan-3-yl]oxy-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
CID 175224330
2-[6-(4-fluorophenyl)-4-[[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]amino]quinazolin-8-yl]oxy-1-pyrrolidin-1-ylethanone
CID 155340195
6-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylquinazolin-4-amine
CID 155728257
N-[1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]propan-2-yl]-8-(trifluoromethyl)quinazolin-4-amine
CID 170352910
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 16591698
4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine
CID 71661881
N-[(1S)-1-(2,6-difluorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylaniline
CID 97020537

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-8-morpholin-4-ylsulfonylquinazolin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-8-morpholin-4-ylsulfonylquinazolin-4-amine (CID 175190898) is 6-(4-fluorophenyl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-8-morpholin-4-ylsulfonylquinazolin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-8-morpholin-4-ylsulfonylquinazolin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-8-morpholin-4-ylsulfonylquinazolin-4-amine is Cc1ccc(C(C)Nc2ncnc3c(S(=O)(=O)N4CCOCC4)cc(-c4ccc(F)cc4)cc23)nn1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-8-morpholin-4-ylsulfonylquinazolin-4-amine?
The InChIKey is CVXGFTCNUQQCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O3S/c1-16-3-8-22(31-30-16)17(2)29-25-21-13-19(18-4-6-20(26)7-5-18)14-23(24(21)27-15-28-25)36(33,34)32-9-11-35-12-10-32/h3-8,13-15,17H,9-12H2,1-2H3,(H,27,28,29).
What are the key properties of 6-(4-fluorophenyl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-8-morpholin-4-ylsulfonylquinazolin-4-amine?
6-(4-fluorophenyl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-8-morpholin-4-ylsulfonylquinazolin-4-amine has a molecular weight of 508.58 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-8-morpholin-4-ylsulfonylquinazolin-4-amine is sourced from PubChem (CID 175190898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).